CID 2774131

2',3'-difluoro-4'-methylacetophenone

Structural Information

Molecular Formula
C9H8F2O
SMILES
CC1=C(C(=C(C=C1)C(=O)C)F)F
InChI
InChI=1S/C9H8F2O/c1-5-3-4-7(6(2)12)9(11)8(5)10/h3-4H,1-2H3
InChIKey
PIYDLEQMYRPHPO-UHFFFAOYSA-N
Compound name
1-(2,3-difluoro-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.05432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 128.7
[M+Na]+ 193.04354 139.1
[M-H]- 169.04704 130.8
[M+NH4]+ 188.08814 149.9
[M+K]+ 209.01748 136.9
[M+H-H2O]+ 153.05158 122.2
[M+HCOO]- 215.05252 150.7
[M+CH3COO]- 229.06817 182.2
[M+Na-2H]- 191.02899 132.7
[M]+ 170.05377 127.6
[M]- 170.05487 127.6
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

patents stripe