CID 6628

Diazald

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O
InChI
InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3
InChIKey
FFKZOUIEAHOBHW-UHFFFAOYSA-N
Compound name
N,4-dimethyl-N-nitrosobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

2345
Patents

214.04121 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 141.8
[M+Na]+ 237.030428 150.3
[M-H]- 213.033934 148.9
[M+NH4]+ 232.075033 161.6
[M+K]+ 253.004368 149.7
[M+H-H2O]+ 197.038470 135.1
[M+HCOO]- 259.039411 164.8
[M+CH3COO]- 273.055061 193.0
[M+Na-2H]- 235.015876 147.9
[M]+ 214.04066142 147.0
[M]- 214.04175858 147.0
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