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]+ 259.03832 151.7
[M+Na]+ 281.02026 159.0
[M-H]- 257.02376 154.3
[M+NH4]+ 276.06486 167.4
[M+K]+ 296.99420 156.0
[M+H-H2O]+ 241.02830 145.3
[M+HCOO]- 303.02924 170.3
[M+CH3COO]- 317.04489 192.8
[M+Na-2H]- 279.00571 155.8
[M]+ 258.03049 153.9
[M]- 258.03159 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.