CID 81584492

1499431-44-5

Structural Information

Molecular Formula
C8H9ClN6O2S
SMILES
CN1N=C(N=N1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C8H9ClN6O2S/c1-15-12-8(11-14-15)13-18(16,17)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3,(H,12,13)
InChIKey
VEXZNWMTVJPCJQ-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01962 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02690 160.9
[M+Na]+ 311.00884 172.6
[M-H]- 287.01234 163.7
[M+NH4]+ 306.05344 173.9
[M+K]+ 326.98278 167.0
[M+H-H2O]+ 271.01688 153.0
[M+HCOO]- 333.01782 173.5
[M+CH3COO]- 347.03347 198.4
[M+Na-2H]- 308.99429 164.6
[M]+ 288.01907 164.1
[M]- 288.02017 164.1
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.