CID 199792

Brn 2777030

Structural Information

Molecular Formula
C14H10F3NO4S
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C14H10F3NO4S/c15-14(16,17)23(21,22)10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKey
KEIHTRDBSLENNP-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethylsulfonyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.02826 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.03554 174.4
[M+Na]+ 368.01748 181.9
[M+NH4]+ 363.06208 177.8
[M+K]+ 383.99142 176.9
[M-H]- 344.02098 171.3
[M+Na-2H]- 366.00293 178.5
[M]+ 345.02771 174.6
[M]- 345.02881 174.6
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.