CID 79522552

Akos018078096

Structural Information

Molecular Formula
C11H10F2O
SMILES
C1CC1CC(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H10F2O/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7H,4-6H2
InChIKey
WSTNDMUFIPRKIK-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-(2,6-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06998 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07726 133.8
[M+Na]+ 219.05920 144.0
[M-H]- 195.06270 139.2
[M+NH4]+ 214.10380 148.6
[M+K]+ 235.03314 140.3
[M+H-H2O]+ 179.06724 125.6
[M+HCOO]- 241.06818 155.6
[M+CH3COO]- 255.08383 188.7
[M+Na-2H]- 217.04465 138.1
[M]+ 196.06943 134.2
[M]- 196.07053 134.2
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

No patent data available for this compound.