CID 146049569

2-chloro-1-(1-fluorocyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C8H12ClFO
SMILES
C1CCC(CC1)(C(=O)CCl)F
InChI
InChI=1S/C8H12ClFO/c9-6-7(11)8(10)4-2-1-3-5-8/h1-6H2
InChIKey
ZFBDPKWEUAZUDM-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-fluorocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.05608 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06336 134.9
[M+Na]+ 201.04530 141.4
[M-H]- 177.04880 136.5
[M+NH4]+ 196.08990 157.4
[M+K]+ 217.01924 138.5
[M+H-H2O]+ 161.05334 130.3
[M+HCOO]- 223.05428 149.3
[M+CH3COO]- 237.06993 177.6
[M+Na-2H]- 199.03075 139.5
[M]+ 178.05553 131.3
[M]- 178.05663 131.3
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

No patent data available for this compound.