CID 155943294

2613382-06-0

Structural Information

Molecular Formula
C9H13F3O
SMILES
C1CCC(C(C1)CC(F)(F)F)C=O
InChI
InChI=1S/C9H13F3O/c10-9(11,12)5-7-3-1-2-4-8(7)6-13/h6-8H,1-5H2
InChIKey
ZKVFUYJCVDAPPI-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)cyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.09184 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09912 139.5
[M+Na]+ 217.08106 145.7
[M-H]- 193.08456 138.5
[M+NH4]+ 212.12566 158.9
[M+K]+ 233.05500 143.5
[M+H-H2O]+ 177.08910 131.9
[M+HCOO]- 239.09004 155.4
[M+CH3COO]- 253.10569 182.7
[M+Na-2H]- 215.06651 142.9
[M]+ 194.09129 132.0
[M]- 194.09239 132.0
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.