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

135
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.