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

63796
Patents

172.03065 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 131.6
[M+Na]+ 195.01987 140.4
[M-H]- 171.02337 135.0
[M+NH4]+ 190.06447 151.4
[M+K]+ 210.99381 137.1
[M+H-H2O]+ 155.02791 126.0
[M+HCOO]- 217.02885 151.7
[M+CH3COO]- 231.04450 178.5
[M+Na-2H]- 193.00532 136.7
[M]+ 172.03010 130.2
[M]- 172.03120 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