CID 83855034

2-cyclohexyl-2,2-difluoroacetyl chloride

Structural Information

Molecular Formula
C8H11ClF2O
SMILES
C1CCC(CC1)C(C(=O)Cl)(F)F
InChI
InChI=1S/C8H11ClF2O/c9-7(12)8(10,11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
IEHZGTMESCPWFV-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2,2-difluoroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04665 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05393 137.6
[M+Na]+ 219.03587 143.6
[M-H]- 195.03937 137.6
[M+NH4]+ 214.08047 157.4
[M+K]+ 235.00981 140.5
[M+H-H2O]+ 179.04391 131.7
[M+HCOO]- 241.04485 149.3
[M+CH3COO]- 255.06050 181.1
[M+Na-2H]- 217.02132 141.2
[M]+ 196.04610 132.1
[M]- 196.04720 132.1
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.