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]+ 272.03520 155.7
[M+Na]+ 294.01714 166.4
[M-H]- 270.02064 156.9
[M+NH4]+ 289.06174 170.6
[M+K]+ 309.99108 160.2
[M+H-H2O]+ 254.02518 147.8
[M+HCOO]- 316.02612 165.5
[M+CH3COO]- 330.04177 167.0
[M+Na-2H]- 292.00259 157.6
[M]+ 271.02737 158.8
[M]- 271.02847 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.