CID 662857

58905-18-3

Structural Information

Molecular Formula
C10H9Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)O
InChI
InChI=1S/C10H9Cl2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6,10,16H,4H2
InChIKey
XCWJBJOPHSVLGU-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

116
Patents

257.01227 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01955 151.0
[M+Na]+ 280.00149 161.2
[M-H]- 256.00499 152.0
[M+NH4]+ 275.04609 166.1
[M+K]+ 295.97543 155.3
[M+H-H2O]+ 240.00953 142.9
[M+HCOO]- 302.01047 161.2
[M+CH3COO]- 316.02612 162.4
[M+Na-2H]- 277.98694 154.1
[M]+ 257.01172 153.4
[M]- 257.01282 153.4
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