CID 6409956

221343-71-1

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CC1=CC2=NNN=C2C=C1Cl
InChI
InChI=1S/C7H6ClN3/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,1H3,(H,9,10,11)
InChIKey
UJEYPGIFRHXEJE-UHFFFAOYSA-N
Compound name
5-chloro-6-methyl-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

123
Patents

167.02502 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 130.0
[M+Na]+ 190.014238 143.0
[M-H]- 166.017744 130.0
[M+NH4]+ 185.058843 150.1
[M+K]+ 205.988178 137.7
[M+H-H2O]+ 150.022280 123.3
[M+HCOO]- 212.023221 147.1
[M+CH3COO]- 226.038871 144.0
[M+Na-2H]- 187.999686 138.2
[M]+ 167.02447142 132.4
[M]- 167.02556858 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe