CID 20774804

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

Structural Information

Molecular Formula
C7H5ClN4O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)C2=NNN=N2
InChI
InChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
VKJSATBJGQJEET-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 148.2
[M+Na]+ 266.97140 160.2
[M-H]- 242.97490 149.6
[M+NH4]+ 262.01600 162.7
[M+K]+ 282.94534 154.7
[M+H-H2O]+ 226.97944 140.8
[M+HCOO]- 288.98038 158.4
[M+CH3COO]- 302.99603 160.2
[M+Na-2H]- 264.95685 152.6
[M]+ 243.98163 150.8
[M]- 243.98273 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