CID 18948784

3-nitro-4-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H6N2O6S
SMILES
C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C7H6N2O6S/c8-16(14,15)6-2-1-4(7(10)11)3-5(6)9(12)13/h1-3H,(H,10,11)(H2,8,14,15)
InChIKey
CVNYDIJDUSXBSC-UHFFFAOYSA-N
Compound name
3-nitro-4-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.99466 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00194 144.0
[M+Na]+ 268.98388 153.2
[M+NH4]+ 264.02848 149.0
[M+K]+ 284.95782 152.5
[M-H]- 244.98738 143.9
[M+Na-2H]- 266.96933 147.1
[M]+ 245.99411 145.2
[M]- 245.99521 145.2
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