CID 52911271

4-(2h-tetrazol-5-yl)benzenesulfonyl 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

19
Patents

243.98218 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98946 148.8
[M+Na]+ 266.97140 162.0
[M+NH4]+ 262.01600 155.1
[M+K]+ 282.94534 156.8
[M-H]- 242.97490 148.5
[M+Na-2H]- 264.95685 155.4
[M]+ 243.98163 151.1
[M]- 243.98273 151.1
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

patents stripe