CID 15789092

4,4-difluorocyclohexanone

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1CC(CCC1=O)(F)F
InChI
InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
InChIKey
NYYSPVRERVXMLJ-UHFFFAOYSA-N
Compound name
4,4-difluorocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6589
Patents

134.05432 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe