CID 5129185

4-acetamidobenzenesulfonyl azide

Structural Information

Molecular Formula
C8H8N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
InChI
InChI=1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)
InChIKey
NTMHWRHEGDRTPD-UHFFFAOYSA-N
Compound name
N-(4-azidosulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1963
Patents

240.03171 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03899 145.7
[M+Na]+ 263.02093 152.4
[M-H]- 239.02443 152.2
[M+NH4]+ 258.06553 163.0
[M+K]+ 278.99487 145.4
[M+H-H2O]+ 223.02897 142.8
[M+HCOO]- 285.02991 171.2
[M+CH3COO]- 299.04556 191.4
[M+Na-2H]- 261.00638 155.0
[M]+ 240.03116 144.8
[M]- 240.03226 144.8
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