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]+ 238.074176 150.4
[M+Na]+ 260.056118 160.0
[M-H]- 236.059624 152.1
[M+NH4]+ 255.100723 166.1
[M+K]+ 276.030058 155.0
[M+H-H2O]+ 220.064160 142.0
[M+HCOO]- 282.065101 165.5
[M+CH3COO]- 296.080751 187.4
[M+Na-2H]- 258.041566 153.8
[M]+ 237.06635142 152.3
[M]- 237.06744858 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.