CID 58929728

1044942-90-6

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1[C@@H]2C[C@H]([C@H]1CC2(F)F)O
InChI
InChI=1S/C7H10F2O/c8-7(9)3-4-1-5(7)2-6(4)10/h4-6,10H,1-3H2/t4-,5-,6-/m1/s1
InChIKey
MXWBAAFCUCTYCO-HSUXUTPPSA-N
Compound name
(1R,2R,4R)-5,5-difluorobicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

148.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 127.8
[M+Na]+ 171.059198 137.1
[M-H]- 147.062704 127.3
[M+NH4]+ 166.103803 155.8
[M+K]+ 187.033138 134.4
[M+H-H2O]+ 131.067240 123.4
[M+HCOO]- 193.068181 146.4
[M+CH3COO]- 207.083831 172.2
[M+Na-2H]- 169.044646 131.6
[M]+ 148.06943142 123.2
[M]- 148.07052858 123.2
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