CID 58853055

1417510-96-3

Structural Information

Molecular Formula
C9H8F2O
SMILES
CC(=O)C1=CC=CC=C1C(F)F
InChI
InChI=1S/C9H8F2O/c1-6(12)7-4-2-3-5-8(7)9(10)11/h2-5,9H,1H3
InChIKey
INIFPGCZERKNSV-UHFFFAOYSA-N
Compound name
1-[2-(difluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.05432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.061596 130.7
[M+Na]+ 193.043538 138.9
[M-H]- 169.047044 132.0
[M+NH4]+ 188.088143 151.1
[M+K]+ 209.017478 137.1
[M+H-H2O]+ 153.051580 123.6
[M+HCOO]- 215.052521 151.6
[M+CH3COO]- 229.068171 180.8
[M+Na-2H]- 191.028986 134.7
[M]+ 170.05377142 128.2
[M]- 170.05486858 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