CID 121553365

4-chloro-2-(1h-1,2,3-triazol-1-yl)phenol

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC(=C(C=C1Cl)N2C=CN=N2)O
InChI
InChI=1S/C8H6ClN3O/c9-6-1-2-8(13)7(5-6)12-4-3-10-11-12/h1-5,13H
InChIKey
FUAIDQWVHMOMLW-UHFFFAOYSA-N
Compound name
4-chloro-2-(triazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.01994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 136.9
[M+Na]+ 218.00916 148.1
[M-H]- 194.01266 138.8
[M+NH4]+ 213.05376 154.3
[M+K]+ 233.98310 143.3
[M+H-H2O]+ 178.01720 128.9
[M+HCOO]- 240.01814 153.9
[M+CH3COO]- 254.03379 150.1
[M+Na-2H]- 215.99461 143.0
[M]+ 195.01939 138.2
[M]- 195.02049 138.2
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

No patent data available for this compound.