CID 165893402

2-methyl-2h-1,2,3-benzotriazole-4-sulfonamide

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CN1N=C2C=CC=C(C2=N1)S(=O)(=O)N
InChI
InChI=1S/C7H8N4O2S/c1-11-9-5-3-2-4-6(7(5)10-11)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChIKey
CMMYBBZDUKVAQR-UHFFFAOYSA-N
Compound name
2-methylbenzotriazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 142.7
[M+Na]+ 235.02602 155.6
[M-H]- 211.02952 144.6
[M+NH4]+ 230.07062 160.9
[M+K]+ 250.99996 151.9
[M+H-H2O]+ 195.03406 136.4
[M+HCOO]- 257.03500 160.6
[M+CH3COO]- 271.05065 183.9
[M+Na-2H]- 233.01147 149.0
[M]+ 212.03625 146.8
[M]- 212.03735 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.