CID 739374

58905-16-1

Structural Information

Molecular Formula
C10H7Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=NC=N2
InChI
InChI=1S/C10H7Cl2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKey
XOHMICFWUQPTNP-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

240
Patents

254.99661 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00389 150.4
[M+Na]+ 277.98583 161.2
[M-H]- 253.98933 152.6
[M+NH4]+ 273.03043 166.1
[M+K]+ 293.95977 155.5
[M+H-H2O]+ 237.99387 141.9
[M+HCOO]- 299.99481 162.1
[M+CH3COO]- 314.01046 162.4
[M+Na-2H]- 275.97128 153.8
[M]+ 254.99606 153.8
[M]- 254.99716 153.8
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.