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]+ 191.087816 142.0
[M+Na]+ 213.069758 149.3
[M-H]- 189.073264 140.9
[M+NH4]+ 208.114363 169.4
[M+K]+ 229.043698 146.9
[M+H-H2O]+ 173.077800 137.6
[M+HCOO]- 235.078741 158.2
[M+CH3COO]- 249.094391 178.6
[M+Na-2H]- 211.055206 144.7
[M]+ 190.07999142 137.1
[M]- 190.08108858 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