CID 918288

2-(5-(2-chlorophenyl)-1h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C14H10ClN3O
SMILES
C1=CC=C(C(=C1)C2=NNC(=N2)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C14H10ClN3O/c15-11-7-3-1-5-9(11)13-16-14(18-17-13)10-6-2-4-8-12(10)19/h1-8,19H,(H,16,17,18)
InChIKey
SATHQHDSZBZVFR-UHFFFAOYSA-N
Compound name
2-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.05124 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05852 160.1
[M+Na]+ 294.04046 176.7
[M+NH4]+ 289.08506 168.1
[M+K]+ 310.01440 170.3
[M-H]- 270.04396 164.2
[M+Na-2H]- 292.02591 170.3
[M]+ 271.05069 164.0
[M]- 271.05179 164.0
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.