CID 102108151

4-(dimethylamino)phenyl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C12H10F9NO3S
SMILES
CN(C)C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F9NO3S/c1-22(2)7-3-5-8(6-4-7)25-26(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h3-6H,1-2H3
InChIKey
PYKVOGIGEBVLSI-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

419.02377 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.03105 178.7
[M+Na]+ 442.01299 186.9
[M-H]- 418.01649 172.4
[M+NH4]+ 437.05759 188.9
[M+K]+ 457.98693 183.9
[M+H-H2O]+ 402.02103 165.3
[M+HCOO]- 464.02197 182.1
[M+CH3COO]- 478.03762 224.5
[M+Na-2H]- 439.99844 182.0
[M]+ 419.02322 170.7
[M]- 419.02432 170.7
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

No patent data available for this compound.