CID 47002119

2-chloro-n-(pentafluorophenyl)propanamide

Structural Information

Molecular Formula
C9H5ClF5NO
SMILES
CC(C(=O)NC1=C(C(=C(C(=C1F)F)F)F)F)Cl
InChI
InChI=1S/C9H5ClF5NO/c1-2(10)9(17)16-8-6(14)4(12)3(11)5(13)7(8)15/h2H,1H3,(H,16,17)
InChIKey
VJDBJOQNMWGEKP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3,4,5,6-pentafluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.998 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00528 146.1
[M+Na]+ 295.98722 158.2
[M-H]- 271.99072 144.5
[M+NH4]+ 291.03182 163.8
[M+K]+ 311.96116 153.0
[M+H-H2O]+ 255.99526 137.6
[M+HCOO]- 317.99620 160.3
[M+CH3COO]- 332.01185 202.0
[M+Na-2H]- 293.97267 145.4
[M]+ 272.99745 142.8
[M]- 272.99855 142.8
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.