CID 105432379

(2,2-difluoro-1-methylcyclohexyl)methanol

Structural Information

Molecular Formula
C8H14F2O
SMILES
CC1(CCCCC1(F)F)CO
InChI
InChI=1S/C8H14F2O/c1-7(6-11)4-2-3-5-8(7,9)10/h11H,2-6H2,1H3
InChIKey
BALRBEOKAXBKSP-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-methylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.10127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10855 132.6
[M+Na]+ 187.09049 139.8
[M-H]- 163.09399 132.3
[M+NH4]+ 182.13509 156.6
[M+K]+ 203.06443 138.1
[M+H-H2O]+ 147.09853 127.5
[M+HCOO]- 209.09947 149.7
[M+CH3COO]- 223.11512 174.7
[M+Na-2H]- 185.07594 138.3
[M]+ 164.10072 126.1
[M]- 164.10182 126.1
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.