CID 75176206

1-{1-[(4-chlorophenyl)methyl]-1h-1,2,3-triazol-4-yl}ethan-1-ol

Structural Information

Molecular Formula
C11H12ClN3O
SMILES
CC(C1=CN(N=N1)CC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C11H12ClN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,16H,6H2,1H3
InChIKey
PXWXFSDBNAYILL-UHFFFAOYSA-N
Compound name
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.0669 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07418 150.4
[M+Na]+ 260.05612 160.0
[M-H]- 236.05962 152.1
[M+NH4]+ 255.10072 166.1
[M+K]+ 276.03006 155.0
[M+H-H2O]+ 220.06416 142.0
[M+HCOO]- 282.06510 165.5
[M+CH3COO]- 296.08075 187.4
[M+Na-2H]- 258.04157 153.8
[M]+ 237.06635 152.3
[M]- 237.06745 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.