CID 98865387

[(1s)-3,3-difluorocyclohexyl]methanol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1C[C@@H](CC(C1)(F)F)CO
InChI
InChI=1S/C7H12F2O/c8-7(9)3-1-2-6(4-7)5-10/h6,10H,1-5H2/t6-/m0/s1
InChIKey
BVOAPBKICTZRNM-LURJTMIESA-N
Compound name
[(1S)-3,3-difluorocyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 129.1
[M+Na]+ 173.07484 135.7
[M-H]- 149.07834 128.5
[M+NH4]+ 168.11944 151.6
[M+K]+ 189.04878 134.1
[M+H-H2O]+ 133.08288 123.3
[M+HCOO]- 195.08382 146.5
[M+CH3COO]- 209.09947 171.9
[M+Na-2H]- 171.06029 134.1
[M]+ 150.08507 121.8
[M]- 150.08617 121.8
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.