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 138.4
[M+Na]+ 211.05410 148.2
[M-H]- 187.05760 135.6
[M+NH4]+ 206.09870 162.4
[M+K]+ 227.02804 143.7
[M+H-H2O]+ 171.06214 133.6
[M+HCOO]- 233.06308 147.2
[M+CH3COO]- 247.07873 149.6
[M+Na-2H]- 209.03955 147.0
[M]+ 188.06433 142.0
[M]- 188.06543 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.