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

3875
Patents

169.00429 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.011566 128.1
[M+Na]+ 191.993508 141.4
[M-H]- 167.997014 128.3
[M+NH4]+ 187.038113 148.0
[M+K]+ 207.967448 136.9
[M+H-H2O]+ 152.001550 121.5
[M+HCOO]- 214.002491 145.7
[M+CH3COO]- 228.018141 142.4
[M+Na-2H]- 189.978956 136.9
[M]+ 169.00374142 131.5
[M]- 169.00483858 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