CID 219396

3989-50-2

Structural Information

Molecular Formula
C8H11N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN
InChI
InChI=1S/C8H11N3O3S/c1-6(12)10-7-2-4-8(5-3-7)15(13,14)11-9/h2-5,11H,9H2,1H3,(H,10,12)
InChIKey
PBCWYAIMPZBEGL-UHFFFAOYSA-N
Compound name
N-[4-(hydrazinesulfonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

229.05211 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.059386 146.1
[M+Na]+ 252.041328 152.8
[M-H]- 228.044834 149.4
[M+NH4]+ 247.085933 163.1
[M+K]+ 268.015268 149.9
[M+H-H2O]+ 212.049370 139.4
[M+HCOO]- 274.050311 166.3
[M+CH3COO]- 288.065961 192.0
[M+Na-2H]- 250.026776 150.9
[M]+ 229.05156142 145.6
[M]- 229.05265858 145.6
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