CID 155970471

3-(2,6-difluorophenyl)-3-methylcyclobutan-1-one

Structural Information

Molecular Formula
C11H10F2O
SMILES
CC1(CC(=O)C1)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H10F2O/c1-11(5-7(14)6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3
InChIKey
CKDWIRYYTPGSON-UHFFFAOYSA-N
Compound name
3-(2,6-difluorophenyl)-3-methylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06998 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07726 136.1
[M+Na]+ 219.05920 145.4
[M-H]- 195.06270 141.2
[M+NH4]+ 214.10380 151.6
[M+K]+ 235.03314 145.1
[M+H-H2O]+ 179.06724 124.9
[M+HCOO]- 241.06818 156.7
[M+CH3COO]- 255.08383 188.3
[M+Na-2H]- 217.04465 140.9
[M]+ 196.06943 142.5
[M]- 196.07053 142.5
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.