CID 12566530

3,5-difluoroadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H14F2O2
SMILES
C1C2CC3(CC1(CC(C2)(C3)F)C(=O)O)F
InChI
InChI=1S/C11H14F2O2/c12-10-2-7-1-9(4-10,8(14)15)5-11(13,3-7)6-10/h7H,1-6H2,(H,14,15)
InChIKey
XDAFDDXJQRAKEG-UHFFFAOYSA-N
Compound name
3,5-difluoroadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

216.09619 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10347 146.7
[M+Na]+ 239.08541 153.4
[M+NH4]+ 234.13001 159.9
[M+K]+ 255.05935 142.4
[M-H]- 215.08891 141.2
[M+Na-2H]- 237.07086 145.2
[M]+ 216.09564 146.3
[M]- 216.09674 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe