CID 130753242

(1r,4r)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14F2O2
SMILES
CC1([C@@H]2CC[C@]1(C(C2)(F)F)C(=O)O)C
InChI
InChI=1S/C10H14F2O2/c1-8(2)6-3-4-9(8,7(13)14)10(11,12)5-6/h6H,3-5H2,1-2H3,(H,13,14)/t6-,9+/m1/s1
InChIKey
FGTKKXHSGNYENO-MUWHJKNJSA-N
Compound name
(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09619 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10347 141.2
[M+Na]+ 227.08541 151.3
[M-H]- 203.08891 141.1
[M+NH4]+ 222.13001 170.8
[M+K]+ 243.05935 148.1
[M+H-H2O]+ 187.09345 138.3
[M+HCOO]- 249.09439 158.1
[M+CH3COO]- 263.11004 182.9
[M+Na-2H]- 225.07086 145.1
[M]+ 204.09564 138.7
[M]- 204.09674 138.7
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.