CID 25323371

2-chloro-n-[1-(4-fluorophenyl)-3-methyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C12H11ClFN3O
SMILES
CC1=NN(C(=C1)NC(=O)CCl)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11ClFN3O/c1-8-6-11(15-12(18)7-13)17(16-8)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,18)
InChIKey
VIVUXESWFAWVSJ-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05746 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06474 156.6
[M+Na]+ 290.04668 166.7
[M-H]- 266.05018 159.9
[M+NH4]+ 285.09128 173.0
[M+K]+ 306.02062 161.2
[M+H-H2O]+ 250.05472 147.8
[M+HCOO]- 312.05566 174.5
[M+CH3COO]- 326.07131 197.3
[M+Na-2H]- 288.03213 159.1
[M]+ 267.05691 158.2
[M]- 267.05801 158.2
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.