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]+ 196.027216 136.9
[M+Na]+ 218.009158 148.1
[M-H]- 194.012664 138.8
[M+NH4]+ 213.053763 154.3
[M+K]+ 233.983098 143.3
[M+H-H2O]+ 178.017200 128.9
[M+HCOO]- 240.018141 153.9
[M+CH3COO]- 254.033791 150.1
[M+Na-2H]- 215.994606 143.0
[M]+ 195.01939142 138.2
[M]- 195.02048858 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.