CID 6481686

1-(4-chlorophenyl)-2-(triazol-2-yl)ethanol

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
C1=CC(=CC=C1C(CN2N=CC=N2)O)Cl
InChI
InChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)10(15)7-14-12-5-6-13-14/h1-6,10,15H,7H2
InChIKey
VPOXVKVFIYWVHB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(triazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05124 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 145.7
[M+Na]+ 246.04046 154.8
[M-H]- 222.04396 147.1
[M+NH4]+ 241.08506 161.5
[M+K]+ 262.01440 150.0
[M+H-H2O]+ 206.04850 137.2
[M+HCOO]- 268.04944 161.1
[M+CH3COO]- 282.06509 157.6
[M+Na-2H]- 244.02591 150.3
[M]+ 223.05069 146.8
[M]- 223.05179 146.8
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.