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]+ 149.07726 127.8
[M+Na]+ 171.05920 137.1
[M-H]- 147.06270 127.3
[M+NH4]+ 166.10380 155.8
[M+K]+ 187.03314 134.4
[M+H-H2O]+ 131.06724 123.4
[M+HCOO]- 193.06818 146.4
[M+CH3COO]- 207.08383 172.2
[M+Na-2H]- 169.04465 131.6
[M]+ 148.06943 123.2
[M]- 148.07053 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