CID 15036415

2-(2,4-dichlorophenyl)-3-(1h-1,2,4-triazol-1-yl)propanol

Structural Information

Molecular Formula
C11H11Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)CO
InChI
InChI=1S/C11H11Cl2N3O/c12-9-1-2-10(11(13)3-9)8(5-17)4-16-7-14-6-15-16/h1-3,6-8,17H,4-5H2
InChIKey
QMUIPLNEIWEBJS-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

57
Patents

271.02792 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.035196 155.5
[M+Na]+ 294.017138 165.3
[M-H]- 270.020644 156.3
[M+NH4]+ 289.061743 170.1
[M+K]+ 309.991078 159.1
[M+H-H2O]+ 254.025180 147.2
[M+HCOO]- 316.026121 165.3
[M+CH3COO]- 330.041771 166.5
[M+Na-2H]- 292.002586 158.1
[M]+ 271.02737142 158.2
[M]- 271.02846858 158.2
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

patents stripe