CID 57996856

4-(difluoromethylidene)cyclohexan-1-one

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1CC(=O)CCC1=C(F)F
InChI
InChI=1S/C7H8F2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H2
InChIKey
NCJPPVKVMVBOLL-UHFFFAOYSA-N
Compound name
4-(difluoromethylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

146.05432 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06160 126.1
[M+Na]+ 169.04354 132.7
[M-H]- 145.04704 126.7
[M+NH4]+ 164.08814 147.3
[M+K]+ 185.01748 131.0
[M+H-H2O]+ 129.05158 119.5
[M+HCOO]- 191.05252 144.5
[M+CH3COO]- 205.06817 173.4
[M+Na-2H]- 167.02899 129.4
[M]+ 146.05377 118.3
[M]- 146.05487 118.3
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