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
1
Annotation Hits

0
References

5
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 191.7
[M+Na]+ 398.97079 192.4
[M+NH4]+ 394.01539 190.7
[M+K]+ 414.94473 189.6
[M-H]- 374.97429 183.6
[M+Na-2H]- 396.95624 189.0
[M]+ 375.98102 189.3
[M]- 375.98212 189.3
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