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]+ 177.07216 131.9
[M+Na]+ 199.05410 141.8
[M-H]- 175.05760 133.6
[M+NH4]+ 194.09870 149.6
[M+K]+ 215.02804 139.1
[M+H-H2O]+ 159.06214 126.1
[M+HCOO]- 221.06308 148.1
[M+CH3COO]- 235.07873 181.6
[M+Na-2H]- 197.03955 136.8
[M]+ 176.06433 129.8
[M]- 176.06543 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.