CID 12896777

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

Structural Information

Molecular Formula
C7H4Cl2N4O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)C2=NNN=N2)Cl
InChI
InChI=1S/C7H4Cl2N4O2S/c8-6-2-1-4(16(9,14)15)3-5(6)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
QVMZCJIWFPATQZ-UHFFFAOYSA-N
Compound name
4-chloro-3-(2H-tetrazol-5-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

277.9432 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95048 153.4
[M+Na]+ 300.93242 166.1
[M-H]- 276.93592 154.6
[M+NH4]+ 295.97702 167.2
[M+K]+ 316.90636 159.8
[M+H-H2O]+ 260.94046 146.4
[M+HCOO]- 322.94140 158.3
[M+CH3COO]- 336.95705 164.8
[M+Na-2H]- 298.91787 156.3
[M]+ 277.94265 157.0
[M]- 277.94375 157.0
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