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

0
Patents

176.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07216 161.3
[M+Na]+ 199.05410 164.8
[M-H]- 175.05760 161.6
[M+NH4]+ 194.09870 166.7
[M+K]+ 215.02804 169.9
[M+H-H2O]+ 159.06214 147.7
[M+HCOO]- 221.06308 170.6
[M+CH3COO]- 235.07873 207.3
[M+Na-2H]- 197.03955 164.7
[M]+ 176.06433 183.3
[M]- 176.06543 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

No patent data available for this compound.