CID 112232

69013-34-9

Structural Information

Molecular Formula
C19H13F19NO7PS
SMILES
CN(CCOP(=O)(O)O)S(=O)(=O)C1=CC=C(C=C1)OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H13F19NO7PS/c1-39(6-7-45-47(40,41)42)48(43,44)9-4-2-8(3-5-9)46-11(14(23,24)25)10(13(20,21)22)12(17(30,31)32,15(26,27)18(33,34)35)16(28,29)19(36,37)38/h2-5H,6-7H2,1H3,(H2,40,41,42)
InChIKey
PUQQCLQURHMROM-UHFFFAOYSA-N
Compound name
2-[methyl-[4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxyphenyl]sulfonylamino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

790.9847 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.99198 154.0
[M+Na]+ 813.97392 154.1
[M+NH4]+ 809.01852 154.1
[M+K]+ 829.94786 154.1
[M-H]- 789.97742 154.0
[M+Na-2H]- 811.95937 153.9
[M]+ 790.98415 154.0
[M]- 790.98525 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.