CID 131264248

2,3,4-trifluoro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H4F3NO4S
SMILES
C1=C(C(=C(C(=C1S(=O)(=O)N)F)F)F)C(=O)O
InChI
InChI=1S/C7H4F3NO4S/c8-4-2(7(12)13)1-3(16(11,14)15)5(9)6(4)10/h1H,(H,12,13)(H2,11,14,15)
InChIKey
QQNGJNHKOKJXAH-UHFFFAOYSA-N
Compound name
2,3,4-trifluoro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98131 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.98859 142.6
[M+Na]+ 277.97053 153.3
[M-H]- 253.97403 141.7
[M+NH4]+ 273.01513 159.1
[M+K]+ 293.94447 149.4
[M+H-H2O]+ 237.97857 134.8
[M+HCOO]- 299.97951 156.7
[M+CH3COO]- 313.99516 191.1
[M+Na-2H]- 275.95598 143.1
[M]+ 254.98076 140.7
[M]- 254.98186 140.7
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.