CID 43244629

2-chloro-n-(5-chloro-2-fluorophenyl)propanamide

Structural Information

Molecular Formula
C9H8Cl2FNO
SMILES
CC(C(=O)NC1=C(C=CC(=C1)Cl)F)Cl
InChI
InChI=1S/C9H8Cl2FNO/c1-5(10)9(14)13-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H,13,14)
InChIKey
MVZRAMRFEGOJQA-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-chloro-2-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9967 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00398 143.6
[M+Na]+ 257.98592 153.1
[M-H]- 233.98942 145.7
[M+NH4]+ 253.03052 162.8
[M+K]+ 273.95986 148.0
[M+H-H2O]+ 217.99396 139.0
[M+HCOO]- 279.99490 157.1
[M+CH3COO]- 294.01055 191.7
[M+Na-2H]- 255.97137 146.6
[M]+ 234.99615 145.1
[M]- 234.99725 145.1
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.