CID 165671113

2803855-98-1

Structural Information

Molecular Formula
C9H12F2O2
SMILES
CC(CC12CC(C1)(C2)C(=O)O)(F)F
InChI
InChI=1S/C9H12F2O2/c1-7(10,11)2-8-3-9(4-8,5-8)6(12)13/h2-5H2,1H3,(H,12,13)
InChIKey
GCTRIUQREIAKJF-UHFFFAOYSA-N
Compound name
3-(2,2-difluoropropyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08054 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.087816 165.1
[M+Na]+ 213.069758 168.9
[M-H]- 189.073264 165.4
[M+NH4]+ 208.114363 170.2
[M+K]+ 229.043698 173.7
[M+H-H2O]+ 173.077800 152.0
[M+HCOO]- 235.078741 173.7
[M+CH3COO]- 249.094391 209.1
[M+Na-2H]- 211.055206 169.6
[M]+ 190.07999142 187.5
[M]- 190.08108858 187.5
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.