CID 155858349

2580209-60-3

Structural Information

Molecular Formula
C8H10F2O3
SMILES
C1CC2(CC1(CO2)C(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O3/c9-5(10)7-1-2-8(3-7,6(11)12)13-4-7/h5H,1-4H2,(H,11,12)
InChIKey
ILNBGQODBLTRSD-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06708 138.3
[M+Na]+ 215.04902 146.0
[M-H]- 191.05252 138.0
[M+NH4]+ 210.09362 164.3
[M+K]+ 231.02296 145.3
[M+H-H2O]+ 175.05706 134.5
[M+HCOO]- 237.05800 154.1
[M+CH3COO]- 251.07365 177.6
[M+Na-2H]- 213.03447 142.8
[M]+ 192.05925 135.3
[M]- 192.06035 135.3
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.