CID 5155041

3-chloro-n-(4-chloro-2-fluorophenyl)propanamide

Structural Information

Molecular Formula
C9H8Cl2FNO
SMILES
C1=CC(=C(C=C1Cl)F)NC(=O)CCCl
InChI
InChI=1S/C9H8Cl2FNO/c10-4-3-9(14)13-8-2-1-6(11)5-7(8)12/h1-2,5H,3-4H2,(H,13,14)
InChIKey
FIXJACKSCVRNAK-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-chloro-2-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9967 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00398 144.1
[M+Na]+ 257.98592 153.7
[M-H]- 233.98942 146.0
[M+NH4]+ 253.03052 163.2
[M+K]+ 273.95986 148.2
[M+H-H2O]+ 217.99396 139.2
[M+HCOO]- 279.99490 158.4
[M+CH3COO]- 294.01055 190.9
[M+Na-2H]- 255.97137 148.1
[M]+ 234.99615 146.1
[M]- 234.99725 146.1
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.