CID 14750019

1-methyl-1h-1,2,3-benzotriazole-7-sulfonyl chloride

Structural Information

Molecular Formula
C7H6ClN3O2S
SMILES
CN1C2=C(C=CC=C2S(=O)(=O)Cl)N=N1
InChI
InChI=1S/C7H6ClN3O2S/c1-11-7-5(9-10-11)3-2-4-6(7)14(8,12)13/h2-4H,1H3
InChIKey
WRXUHCLJFZAIPY-UHFFFAOYSA-N
Compound name
3-methylbenzotriazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.98692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99420 146.1
[M+Na]+ 253.97614 160.4
[M+NH4]+ 249.02074 153.7
[M+K]+ 269.95008 154.3
[M-H]- 229.97964 145.7
[M+Na-2H]- 251.96159 151.7
[M]+ 230.98637 148.7
[M]- 230.98747 148.7
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