CID 165696872

2228531-27-7

Structural Information

Molecular Formula
C9H12F2O2
SMILES
C1CC2CC1CC2C(C(=O)O)(F)F
InChI
InChI=1S/C9H12F2O2/c10-9(11,8(12)13)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,12,13)
InChIKey
ATANYOJJEYZRIZ-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08054 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08782 141.1
[M+Na]+ 213.06976 147.8
[M-H]- 189.07326 139.9
[M+NH4]+ 208.11436 165.0
[M+K]+ 229.04370 145.6
[M+H-H2O]+ 173.07780 136.3
[M+HCOO]- 235.07874 156.7
[M+CH3COO]- 249.09439 179.8
[M+Na-2H]- 211.05521 143.1
[M]+ 190.07999 136.1
[M]- 190.08109 136.1
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.