CID 3017698

66644-80-2

Structural Information

Molecular Formula
C9H11NO6S
SMILES
COC1=CC(=CC(=C1OC)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKey
YEVQOPOKMKTXMD-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

35
Patents

261.0307 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.037976 151.2
[M+Na]+ 284.019918 159.7
[M-H]- 260.023424 153.8
[M+NH4]+ 279.064523 167.2
[M+K]+ 299.993858 157.8
[M+H-H2O]+ 244.027960 145.3
[M+HCOO]- 306.028901 168.3
[M+CH3COO]- 320.044551 192.1
[M+Na-2H]- 282.005366 153.5
[M]+ 261.03015142 156.0
[M]- 261.03124858 156.0
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

patents stripe