CID 5329060

3-[(e)-hydroxyiminomethyl]-4-(methanesulfonamido)benzoic acid

Structural Information

Molecular Formula
C9H10N2O5S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O)/C=N/O
InChI
InChI=1S/C9H10N2O5S/c1-17(15,16)11-8-3-2-6(9(12)13)4-7(8)5-10-14/h2-5,11,14H,1H3,(H,12,13)/b10-5+
InChIKey
QKNXGCGKJCRGAY-BJMVGYQFSA-N
Compound name
3-[(E)-hydroxyiminomethyl]-4-(methanesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

258.03104 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.038316 151.7
[M+Na]+ 281.020258 159.0
[M-H]- 257.023764 154.3
[M+NH4]+ 276.064863 167.4
[M+K]+ 296.994198 156.0
[M+H-H2O]+ 241.028300 145.3
[M+HCOO]- 303.029241 170.3
[M+CH3COO]- 317.044891 192.8
[M+Na-2H]- 279.005706 155.8
[M]+ 258.03049142 153.9
[M]- 258.03158858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.