CID 75176212

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

Structural Information

Molecular Formula
C11H11Cl2N3O
SMILES
CC(C1=CN(N=N1)CC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C11H11Cl2N3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3
InChIKey
BAFURGCWSQPPTI-UHFFFAOYSA-N
Compound name
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.02792 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.035196 155.7
[M+Na]+ 294.017138 166.4
[M-H]- 270.020644 156.9
[M+NH4]+ 289.061743 170.6
[M+K]+ 309.991078 160.2
[M+H-H2O]+ 254.025180 147.8
[M+HCOO]- 316.026121 165.5
[M+CH3COO]- 330.041771 167.0
[M+Na-2H]- 292.002586 157.6
[M]+ 271.02737142 158.8
[M]- 271.02846858 158.8
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.