CID 103662

Einecs 274-826-7

Structural Information

Molecular Formula
C16H5F19O4S
SMILES
C1=CC(=CC=C1OC(=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)S(=O)(=O)O
InChI
InChI=1S/C16H5F19O4S/c17-10(18,19)7(8(11(20,21)22)39-5-1-3-6(4-2-5)40(36,37)38)9(14(27,28)29,12(23,24)15(30,31)32)13(25,26)16(33,34)35/h1-4H,(H,36,37,38)
InChIKey
WOHXQLVTVQETQY-UHFFFAOYSA-N
Compound name
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]oxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

653.9605 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.96778 159.9
[M+Na]+ 676.94972 160.0
[M+NH4]+ 671.99432 159.8
[M+K]+ 692.92366 160.5
[M-H]- 652.95322 159.3
[M+Na-2H]- 674.93517 160.5
[M]+ 653.95995 159.7
[M]- 653.96105 159.7
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

patents stripe