CID 87156359

Dtxsid301033077

Structural Information

Molecular Formula
C10H5F9O3S
SMILES
C1=CC=C(C(=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C10H5F9O3S/c11-7(12,8(13,14)9(15,16)10(17,18)19)5-3-1-2-4-6(5)23(20,21)22/h1-4H,(H,20,21,22)
InChIKey
XQDKWTQBTFCWGU-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

375.98157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98885 167.2
[M+Na]+ 398.97079 176.5
[M-H]- 374.97429 158.7
[M+NH4]+ 394.01539 178.2
[M+K]+ 414.94473 171.8
[M+H-H2O]+ 358.97883 155.0
[M+HCOO]- 420.97977 168.4
[M+CH3COO]- 434.99542 208.6
[M+Na-2H]- 396.95624 170.8
[M]+ 375.98102 156.3
[M]- 375.98212 156.3
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