CID 232711

6-chloro-1-hydroxy-1h-benzotriazole

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
C1=CC2=C(C=C1Cl)N(N=N2)O
InChI
InChI=1S/C6H4ClN3O/c7-4-1-2-5-6(3-4)10(11)9-8-5/h1-3,11H
InChIKey
TZCYLJGNWDVJRA-UHFFFAOYSA-N
Compound name
6-chloro-1-hydroxybenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3877
Patents

169.00429 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01157 128.1
[M+Na]+ 191.99351 141.4
[M-H]- 167.99701 128.3
[M+NH4]+ 187.03811 148.0
[M+K]+ 207.96745 136.9
[M+H-H2O]+ 152.00155 121.5
[M+HCOO]- 214.00249 145.7
[M+CH3COO]- 228.01814 142.4
[M+Na-2H]- 189.97896 136.9
[M]+ 169.00374 131.5
[M]- 169.00484 131.5
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