CID 155819703

2352841-72-4

Structural Information

Molecular Formula
C9H16F2O2
SMILES
COC(CO)C1CCC(CC1)(F)F
InChI
InChI=1S/C9H16F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h7-8,12H,2-6H2,1H3
InChIKey
LBXAJEVMGMSMFY-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)-2-methoxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11183 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11911 141.6
[M+Na]+ 217.10105 147.1
[M-H]- 193.10455 140.6
[M+NH4]+ 212.14565 162.2
[M+K]+ 233.07499 145.9
[M+H-H2O]+ 177.10909 135.4
[M+HCOO]- 239.11003 157.6
[M+CH3COO]- 253.12568 180.8
[M+Na-2H]- 215.08650 144.3
[M]+ 194.11128 135.9
[M]- 194.11238 135.9
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.