CID 118062857

1773511-56-0

Structural Information

Molecular Formula
C9H12F2O2
SMILES
C1CC2(CCC1(C2)C(F)F)C(=O)O
InChI
InChI=1S/C9H12F2O2/c10-6(11)8-1-3-9(5-8,4-2-8)7(12)13/h6H,1-5H2,(H,12,13)
InChIKey
GXFVCDJDKQBCFT-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)bicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.08054 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08782 142.0
[M+Na]+ 213.06976 149.3
[M-H]- 189.07326 140.9
[M+NH4]+ 208.11436 169.4
[M+K]+ 229.04370 146.9
[M+H-H2O]+ 173.07780 137.6
[M+HCOO]- 235.07874 158.2
[M+CH3COO]- 249.09439 178.6
[M+Na-2H]- 211.05521 144.7
[M]+ 190.07999 137.1
[M]- 190.08109 137.1
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

patents stripe