CID 10931851

2,2-difluoro-1-phenylpropan-1-one

Structural Information

Molecular Formula
C9H8F2O
SMILES
CC(C(=O)C1=CC=CC=C1)(F)F
InChI
InChI=1S/C9H8F2O/c1-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
LBHQLBHEQJJNQL-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

170.05432 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 131.0
[M+Na]+ 193.04354 139.0
[M-H]- 169.04704 132.2
[M+NH4]+ 188.08814 151.3
[M+K]+ 209.01748 137.1
[M+H-H2O]+ 153.05158 124.2
[M+HCOO]- 215.05252 151.4
[M+CH3COO]- 229.06817 179.1
[M+Na-2H]- 191.02899 137.6
[M]+ 170.05377 128.2
[M]- 170.05487 128.2
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