CID 137935406

1,1-difluorospiro[2.4]heptane-5-carboxylic acid

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1CC2(CC1C(=O)O)CC2(F)F
InChI
InChI=1S/C8H10F2O2/c9-8(10)4-7(8)2-1-5(3-7)6(11)12/h5H,1-4H2,(H,11,12)
InChIKey
VVZUPHJLOSMAJX-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.4]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07216 131.0
[M+Na]+ 199.05410 141.2
[M-H]- 175.05760 134.2
[M+NH4]+ 194.09870 151.4
[M+K]+ 215.02804 139.1
[M+H-H2O]+ 159.06214 126.5
[M+HCOO]- 221.06308 149.0
[M+CH3COO]- 235.07873 178.8
[M+Na-2H]- 197.03955 135.6
[M]+ 176.06433 129.2
[M]- 176.06543 129.2
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.