CID 15514816

2,4-difluoro-benzenesulfonic acid

Structural Information

Molecular Formula
C6H4F2O3S
SMILES
C1=CC(=C(C=C1F)F)S(=O)(=O)O
InChI
InChI=1S/C6H4F2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H,9,10,11)
InChIKey
FRUWCRYDUOZXFA-UHFFFAOYSA-N
Compound name
2,4-difluorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

193.98492 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.99220 130.2
[M+Na]+ 216.97414 141.1
[M-H]- 192.97764 131.1
[M+NH4]+ 212.01874 149.8
[M+K]+ 232.94808 137.7
[M+H-H2O]+ 176.98218 123.9
[M+HCOO]- 238.98312 146.3
[M+CH3COO]- 252.99877 176.0
[M+Na-2H]- 214.95959 134.5
[M]+ 193.98437 130.2
[M]- 193.98547 130.2
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