CID 88761

1-chlorobenzotriazole

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CC=C2C(=C1)N=NN2Cl
InChI
InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
InChIKey
INOGLHRUEYDAHX-UHFFFAOYSA-N
Compound name
1-chlorobenzotriazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2818
Patents

153.00937 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016646 124.5
[M+Na]+ 175.998588 137.4
[M-H]- 152.002094 125.6
[M+NH4]+ 171.043193 145.5
[M+K]+ 191.972528 133.3
[M+H-H2O]+ 136.006630 117.3
[M+HCOO]- 198.007571 143.4
[M+CH3COO]- 212.023221 139.3
[M+Na-2H]- 173.984036 134.5
[M]+ 153.00882142 128.0
[M]- 153.00991858 128.0
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