CID 510713

4-[3-(methanesulfonamido)phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C11H11NO6S
SMILES
CS(=O)(=O)NC1=CC=CC(=C1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C11H11NO6S/c1-19(17,18)12-8-4-2-3-7(5-8)9(13)6-10(14)11(15)16/h2-5,12H,6H2,1H3,(H,15,16)
InChIKey
XTNLCIMGIJBWFC-UHFFFAOYSA-N
Compound name
4-[3-(methanesulfonamido)phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03798 158.2
[M+Na]+ 308.01992 164.0
[M-H]- 284.02342 160.3
[M+NH4]+ 303.06452 172.5
[M+K]+ 323.99386 161.9
[M+H-H2O]+ 268.02796 151.8
[M+HCOO]- 330.02890 173.7
[M+CH3COO]- 344.04455 196.2
[M+Na-2H]- 306.00537 159.7
[M]+ 285.03015 161.3
[M]- 285.03125 161.3
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

No patent data available for this compound.