CID 155820938

2490402-60-1

Structural Information

Molecular Formula
C9H12F2O2
SMILES
CC1(CC2(C1)CC(C2)(F)F)C(=O)O
InChI
InChI=1S/C9H12F2O2/c1-7(6(12)13)2-8(3-7)4-9(10,11)5-8/h2-5H2,1H3,(H,12,13)
InChIKey
OYOWNTUBIXDMJA-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-methylspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08054 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08782 140.2
[M+Na]+ 213.06976 146.4
[M-H]- 189.07326 143.2
[M+NH4]+ 208.11436 151.7
[M+K]+ 229.04370 149.4
[M+H-H2O]+ 173.07780 129.5
[M+HCOO]- 235.07874 154.8
[M+CH3COO]- 249.09439 192.4
[M+Na-2H]- 211.05521 144.8
[M]+ 190.07999 153.0
[M]- 190.08109 153.0
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.