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]+ 272.058516 158.7
[M+Na]+ 294.040458 169.2
[M-H]- 270.043964 162.5
[M+NH4]+ 289.085063 172.1
[M+K]+ 310.014398 161.3
[M+H-H2O]+ 254.048500 149.5
[M+HCOO]- 316.049441 173.6
[M+CH3COO]- 330.065091 170.0
[M+Na-2H]- 292.025906 162.8
[M]+ 271.05069142 158.5
[M]- 271.05178858 158.5
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.