CID 165941611

3,3-difluorospiro[3.3]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1CC2(C1)C(CC2(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O2/c9-8(10)4-5(6(11)12)7(8)2-1-3-7/h5H,1-4H2,(H,11,12)
InChIKey
PVKLJRSDZMFZDO-UHFFFAOYSA-N
Compound name
3,3-difluorospiro[3.3]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07216 133.3
[M+Na]+ 199.05410 139.0
[M-H]- 175.05760 135.9
[M+NH4]+ 194.09870 143.4
[M+K]+ 215.02804 142.4
[M+H-H2O]+ 159.06214 121.1
[M+HCOO]- 221.06308 148.2
[M+CH3COO]- 235.07873 189.8
[M+Na-2H]- 197.03955 137.5
[M]+ 176.06433 145.4
[M]- 176.06543 145.4
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.