CID 12374490

62230-51-7

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
CCOC(=O)C1=NC(=NN1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10-13-9(14-15-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,15)
InChIKey
HOHJXKLSCXTVQB-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chlorophenyl)-1H-1,2,4-triazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 152.6
[M+Na]+ 274.03538 162.4
[M-H]- 250.03888 154.4
[M+NH4]+ 269.07998 167.6
[M+K]+ 290.00932 157.4
[M+H-H2O]+ 234.04342 144.2
[M+HCOO]- 296.04436 168.1
[M+CH3COO]- 310.06001 188.0
[M+Na-2H]- 272.02083 156.0
[M]+ 251.04561 155.1
[M]- 251.04671 155.1
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

No patent data available for this compound.