CID 45086527

179990-93-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

170.05432 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 136.3
[M+Na]+ 193.04354 147.3
[M+NH4]+ 188.08814 143.6
[M+K]+ 209.01748 141.6
[M-H]- 169.04704 135.4
[M+Na-2H]- 191.02899 141.7
[M]+ 170.05377 137.4
[M]- 170.05487 137.4
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