CID 3064724

Chf 1210

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1CSC(=O)C1NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H11NO4S/c14-10(13-9-5-6-18-12(9)17)7-3-1-2-4-8(7)11(15)16/h1-4,9H,5-6H2,(H,13,14)(H,15,16)
InChIKey
GXSYIWLCGRIIHE-UHFFFAOYSA-N
Compound name
2-[(2-oxothiolan-3-yl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.0409 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 158.2
[M+Na]+ 288.03012 166.3
[M+NH4]+ 283.07472 164.7
[M+K]+ 304.00406 162.3
[M-H]- 264.03362 159.7
[M+Na-2H]- 286.01557 161.8
[M]+ 265.04035 159.7
[M]- 265.04145 159.7
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

patents stripe