CID 158331

83223-83-0

Structural Information

Molecular Formula
C12H13Cl2N3O2
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)(C(N2C=NC=N2)OC)O
InChI
InChI=1S/C12H13Cl2N3O2/c1-12(18,9-4-3-8(13)5-10(9)14)11(19-2)17-7-15-6-16-17/h3-7,11,18H,1-2H3
InChIKey
ZAIHDCVTOLNXJF-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-methoxy-1-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

849
Patents

301.03848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04576 163.7
[M+Na]+ 324.02770 173.1
[M-H]- 300.03120 164.9
[M+NH4]+ 319.07230 177.1
[M+K]+ 340.00164 167.9
[M+H-H2O]+ 284.03574 155.7
[M+HCOO]- 346.03668 171.8
[M+CH3COO]- 360.05233 197.3
[M+Na-2H]- 322.01315 166.6
[M]+ 301.03793 167.6
[M]- 301.03903 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe