CID 66602618

4,4-difluoro-1-methylcyclohexan-1-ol

Structural Information

Molecular Formula
C7H12F2O
SMILES
CC1(CCC(CC1)(F)F)O
InChI
InChI=1S/C7H12F2O/c1-6(10)2-4-7(8,9)5-3-6/h10H,2-5H2,1H3
InChIKey
WDCKELGNLDSSOI-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 128.1
[M+Na]+ 173.07484 135.7
[M-H]- 149.07834 127.9
[M+NH4]+ 168.11944 152.6
[M+K]+ 189.04878 134.3
[M+H-H2O]+ 133.08288 123.2
[M+HCOO]- 195.08382 145.5
[M+CH3COO]- 209.09947 171.7
[M+Na-2H]- 171.06029 134.3
[M]+ 150.08507 121.2
[M]- 150.08617 121.2
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