CID 165980416

{2,2-difluoro-3-methylbicyclo[1.1.1]pentan-1-yl}methanol

Structural Information

Molecular Formula
C7H10F2O
SMILES
CC12CC(C1)(C2(F)F)CO
InChI
InChI=1S/C7H10F2O/c1-5-2-6(3-5,4-10)7(5,8)9/h10H,2-4H2,1H3
InChIKey
JGUQOOGZAMGHEV-UHFFFAOYSA-N
Compound name
(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 152.6
[M+Na]+ 171.05920 158.9
[M-H]- 147.06270 154.2
[M+NH4]+ 166.10380 161.3
[M+K]+ 187.03314 162.7
[M+H-H2O]+ 131.06724 141.5
[M+HCOO]- 193.06818 163.8
[M+CH3COO]- 207.08383 203.9
[M+Na-2H]- 169.04465 159.1
[M]+ 148.06943 175.5
[M]- 148.07053 175.6
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.