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]+ 191.087816 140.2
[M+Na]+ 213.069758 146.4
[M-H]- 189.073264 143.2
[M+NH4]+ 208.114363 151.7
[M+K]+ 229.043698 149.4
[M+H-H2O]+ 173.077800 129.5
[M+HCOO]- 235.078741 154.8
[M+CH3COO]- 249.094391 192.4
[M+Na-2H]- 211.055206 144.8
[M]+ 190.07999142 153.0
[M]- 190.08108858 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.