CID 165950243

3-(difluoromethyl)bicyclo[1.1.1]pentan-1-ol

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1C2(CC1(C2)O)C(F)F
InChI
InChI=1S/C6H8F2O/c7-4(8)5-1-6(9,2-5)3-5/h4,9H,1-3H2
InChIKey
OCEARPHVDKHEPV-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)bicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 147.7
[M+Na]+ 157.04354 152.5
[M-H]- 133.04704 148.6
[M+NH4]+ 152.08814 154.8
[M+K]+ 173.01748 157.5
[M+H-H2O]+ 117.05158 134.8
[M+HCOO]- 179.05252 158.3
[M+CH3COO]- 193.06817 201.5
[M+Na-2H]- 155.02899 153.4
[M]+ 134.05377 169.3
[M]- 134.05487 169.3
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

No patent data available for this compound.