CID 124669140

2218436-73-6

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1C[C@H]2[C@H](C2(F)F)C[C@@H]1C(=O)O
InChI
InChI=1S/C8H10F2O2/c9-8(10)5-2-1-4(7(11)12)3-6(5)8/h4-6H,1-3H2,(H,11,12)/t4-,5+,6-/m1/s1
InChIKey
MYWUIPSUJMURKN-NGJCXOISSA-N
Compound name
(1R,3R,6S)-7,7-difluorobicyclo[4.1.0]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.072156 131.9
[M+Na]+ 199.054098 141.8
[M-H]- 175.057604 133.6
[M+NH4]+ 194.098703 149.6
[M+K]+ 215.028038 139.1
[M+H-H2O]+ 159.062140 126.1
[M+HCOO]- 221.063081 148.1
[M+CH3COO]- 235.078731 181.6
[M+Na-2H]- 197.039546 136.8
[M]+ 176.06433142 129.8
[M]- 176.06542858 129.8
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.