CID 155821968

3-(2,2-difluoroethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1C2(CC1(C2)C(=O)O)CC(F)F
InChI
InChI=1S/C8H10F2O2/c9-5(10)1-7-2-8(3-7,4-7)6(11)12/h5H,1-4H2,(H,11,12)
InChIKey
DHRFNXPSVZADQP-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.072156 161.3
[M+Na]+ 199.054098 164.8
[M-H]- 175.057604 161.6
[M+NH4]+ 194.098703 166.7
[M+K]+ 215.028038 169.9
[M+H-H2O]+ 159.062140 147.7
[M+HCOO]- 221.063081 170.6
[M+CH3COO]- 235.078731 207.3
[M+Na-2H]- 197.039546 164.7
[M]+ 176.06433142 183.3
[M]- 176.06542858 183.3
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

patents stripe