CID 238418

2,2,3,3,3-pentafluoro-1-phenylpropan-1-one

Structural Information

Molecular Formula
C9H5F5O
SMILES
C1=CC=C(C=C1)C(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h1-5H
InChIKey
VUBUXALTYMBEQO-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2194
Patents

224.02606 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.033336 139.4
[M+Na]+ 247.015278 148.1
[M-H]- 223.018784 136.8
[M+NH4]+ 242.059883 157.3
[M+K]+ 262.989218 145.2
[M+H-H2O]+ 207.023320 130.2
[M+HCOO]- 269.024261 154.8
[M+CH3COO]- 283.039911 187.5
[M+Na-2H]- 245.000726 144.8
[M]+ 224.02551142 132.1
[M]- 224.02660858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe