CID 145915593

8,8-difluorotricyclo[3.2.1.0,2,7]octane-1-carboxylic acid

Structural Information

Molecular Formula
C9H10F2O2
SMILES
C1CC2C3C2(C(C1C3)(F)F)C(=O)O
InChI
InChI=1S/C9H10F2O2/c10-9(11)4-1-2-5-6(3-4)8(5,9)7(12)13/h4-6H,1-3H2,(H,12,13)
InChIKey
ZNNMWRLGRCBBHB-UHFFFAOYSA-N
Compound name
8,8-difluorotricyclo[3.2.1.02,7]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.072156 138.4
[M+Na]+ 211.054098 148.2
[M-H]- 187.057604 135.6
[M+NH4]+ 206.098703 162.4
[M+K]+ 227.028038 143.7
[M+H-H2O]+ 171.062140 133.6
[M+HCOO]- 233.063081 147.2
[M+CH3COO]- 247.078731 149.6
[M+Na-2H]- 209.039546 147.0
[M]+ 188.06433142 142.0
[M]- 188.06542858 142.0
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.