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]+ 189.07216 137.0
[M+Na]+ 211.05410 145.3
[M+NH4]+ 206.09870 148.8
[M+K]+ 227.02804 140.3
[M-H]- 187.05760 139.0
[M+Na-2H]- 209.03955 138.4
[M]+ 188.06433 139.8
[M]- 188.06543 139.8
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.