CID 52911271

4-(1h-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN4O2S
SMILES
C1=CC(=CC=C1C2=NNN=N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
HXFGIDWWUVWVHT-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

243.98218 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.989456 148.2
[M+Na]+ 266.971398 160.2
[M-H]- 242.974904 149.6
[M+NH4]+ 262.016003 162.7
[M+K]+ 282.945338 154.7
[M+H-H2O]+ 226.979440 140.8
[M+HCOO]- 288.980381 158.4
[M+CH3COO]- 302.996031 160.2
[M+Na-2H]- 264.956846 152.6
[M]+ 243.98163142 150.8
[M]- 243.98272858 150.8
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

patents stripe