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]+ 191.08782 165.1
[M+Na]+ 213.06976 168.9
[M-H]- 189.07326 165.4
[M+NH4]+ 208.11436 170.2
[M+K]+ 229.04370 173.7
[M+H-H2O]+ 173.07780 152.0
[M+HCOO]- 235.07874 173.7
[M+CH3COO]- 249.09439 209.1
[M+Na-2H]- 211.05521 169.6
[M]+ 190.07999 187.5
[M]- 190.08109 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.