CID 165991618

2-(4,4-difluorocyclohexyl)propan-1-ol

Structural Information

Molecular Formula
C9H16F2O
SMILES
CC(CO)C1CCC(CC1)(F)F
InChI
InChI=1S/C9H16F2O/c1-7(6-12)8-2-4-9(10,11)5-3-8/h7-8,12H,2-6H2,1H3
InChIKey
FDGZJILYIKHANH-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12421 138.5
[M+Na]+ 201.10615 144.1
[M-H]- 177.10965 137.6
[M+NH4]+ 196.15075 159.8
[M+K]+ 217.08009 142.4
[M+H-H2O]+ 161.11419 132.5
[M+HCOO]- 223.11513 154.3
[M+CH3COO]- 237.13078 178.8
[M+Na-2H]- 199.09160 141.2
[M]+ 178.11638 131.3
[M]- 178.11748 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.