CID 84733337

1782894-92-1

Structural Information

Molecular Formula
C8H11F3O2
SMILES
C1CC(CCC1C=O)(C(F)(F)F)O
InChI
InChI=1S/C8H11F3O2/c9-8(10,11)7(13)3-1-6(5-12)2-4-7/h5-6,13H,1-4H2
InChIKey
RHAQXWPDXNOQHO-UHFFFAOYSA-N
Compound name
4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.07112 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 138.2
[M+Na]+ 219.06034 145.2
[M-H]- 195.06384 136.3
[M+NH4]+ 214.10494 158.8
[M+K]+ 235.03428 143.2
[M+H-H2O]+ 179.06838 131.8
[M+HCOO]- 241.06932 153.1
[M+CH3COO]- 255.08497 178.6
[M+Na-2H]- 217.04579 142.9
[M]+ 196.07057 130.2
[M]- 196.07167 130.2
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