CID 5333

Sulfanilamide

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
FDDDEECHVMSUSB-UHFFFAOYSA-N
Compound name
4-aminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7574
References

65594
Patents

172.03065 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.037926 131.6
[M+Na]+ 195.019868 140.4
[M-H]- 171.023374 135.0
[M+NH4]+ 190.064473 151.4
[M+K]+ 210.993808 137.1
[M+H-H2O]+ 155.027910 126.0
[M+HCOO]- 217.028851 151.7
[M+CH3COO]- 231.044501 178.5
[M+Na-2H]- 193.005316 136.7
[M]+ 172.03010142 130.2
[M]- 172.03119858 130.2
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