CID 410461

Benzenesulfonic acid, (acetylamino)-

Structural Information

Molecular Formula
C8H9NO4S
SMILES
CC(=O)NC1=CC=CC=C1S(=O)(=O)O
InChI
InChI=1S/C8H9NO4S/c1-6(10)9-7-4-2-3-5-8(7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
InChIKey
KCMKIDORSDPITL-UHFFFAOYSA-N
Compound name
2-acetamidobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

215.02522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.032496 142.1
[M+Na]+ 238.014438 150.0
[M-H]- 214.017944 144.9
[M+NH4]+ 233.059043 160.0
[M+K]+ 253.988378 147.3
[M+H-H2O]+ 198.022480 136.5
[M+HCOO]- 260.023421 159.9
[M+CH3COO]- 274.039071 181.8
[M+Na-2H]- 235.999886 146.6
[M]+ 215.02467142 143.8
[M]- 215.02576858 143.8
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