CID 44228136

(3-fluorocyclohexyl)methanol

Structural Information

Molecular Formula
C7H13FO
SMILES
C1CC(CC(C1)F)CO
InChI
InChI=1S/C7H13FO/c8-7-3-1-2-6(4-7)5-9/h6-7,9H,1-5H2
InChIKey
XGPBMLUFFUNKMS-UHFFFAOYSA-N
Compound name
(3-fluorocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

132.09505 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10233 126.7
[M+Na]+ 155.08427 132.3
[M-H]- 131.08777 127.1
[M+NH4]+ 150.12887 147.9
[M+K]+ 171.05821 130.9
[M+H-H2O]+ 115.09231 121.0
[M+HCOO]- 177.09325 145.2
[M+CH3COO]- 191.10890 169.6
[M+Na-2H]- 153.06972 131.2
[M]+ 132.09450 120.3
[M]- 132.09560 120.3
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

patents stripe