CID 12742622

2,2-difluorocyclohexan-1-one

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1CCC(C(=O)C1)(F)F
InChI
InChI=1S/C6H8F2O/c7-6(8)4-2-1-3-5(6)9/h1-4H2
InChIKey
CDIGRNREFSHYLH-UHFFFAOYSA-N
Compound name
2,2-difluorocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

134.05432 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 122.1
[M+Na]+ 157.04354 129.8
[M-H]- 133.04704 123.1
[M+NH4]+ 152.08814 145.9
[M+K]+ 173.01748 128.8
[M+H-H2O]+ 117.05158 116.3
[M+HCOO]- 179.05252 141.6
[M+CH3COO]- 193.06817 170.7
[M+Na-2H]- 155.02899 128.2
[M]+ 134.05377 115.6
[M]- 134.05487 115.6
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