CID 16227205

956769-09-8

Structural Information

Molecular Formula
C12H11Cl2N3O
SMILES
C1=CC=C(C(=C1)CN2C(=CC=N2)NC(=O)CCl)Cl
InChI
InChI=1S/C12H11Cl2N3O/c13-7-12(18)16-11-5-6-15-17(11)8-9-3-1-2-4-10(9)14/h1-6H,7-8H2,(H,16,18)
InChIKey
GJXDZOPPNODAME-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02792 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.03520 161.0
[M+Na]+ 306.01714 170.3
[M-H]- 282.02064 164.4
[M+NH4]+ 301.06174 176.8
[M+K]+ 321.99108 164.1
[M+H-H2O]+ 266.02518 153.1
[M+HCOO]- 328.02612 174.6
[M+CH3COO]- 342.04177 197.9
[M+Na-2H]- 304.00259 163.9
[M]+ 283.02737 164.2
[M]- 283.02847 164.2
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.