CID 10084756

2-chloro-5-(1h-tetrazol-5-yl)sulphanilamide

Structural Information

Molecular Formula
C7H7ClN6O2S
SMILES
C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C2=NNN=N2
InChI
InChI=1S/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)
InChIKey
OKHJHVJXPHYALI-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

274.00397 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01125 156.6
[M+Na]+ 296.99319 168.3
[M-H]- 272.99669 157.8
[M+NH4]+ 292.03779 169.2
[M+K]+ 312.96713 161.7
[M+H-H2O]+ 257.00123 149.4
[M+HCOO]- 319.00217 167.5
[M+CH3COO]- 333.01782 192.7
[M+Na-2H]- 294.97864 159.4
[M]+ 274.00342 156.7
[M]- 274.00452 156.7
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