CID 59846681

2-chloro-1-(4,4-difluorocyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C8H11ClF2O
SMILES
C1CC(CCC1C(=O)CCl)(F)F
InChI
InChI=1S/C8H11ClF2O/c9-5-7(12)6-1-3-8(10,11)4-2-6/h6H,1-5H2
InChIKey
VFMITEJMPRVHBZ-UHFFFAOYSA-N
Compound name
2-chloro-1-(4,4-difluorocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.04665 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05393 136.2
[M+Na]+ 219.03587 143.7
[M-H]- 195.03937 136.7
[M+NH4]+ 214.08047 158.2
[M+K]+ 235.00981 140.4
[M+H-H2O]+ 179.04391 131.0
[M+HCOO]- 241.04485 149.6
[M+CH3COO]- 255.06050 181.4
[M+Na-2H]- 217.02132 139.7
[M]+ 196.04610 131.8
[M]- 196.04720 131.8
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