CID 137838233

6-fluorospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1C(CC12CC(C2)F)C(=O)O
InChI
InChI=1S/C8H11FO2/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKey
OUBOCMOMOWCRPG-UHFFFAOYSA-N
Compound name
2-fluorospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

158.07431 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08159 126.7
[M+Na]+ 181.06353 131.5
[M-H]- 157.06703 130.0
[M+NH4]+ 176.10813 135.7
[M+K]+ 197.03747 135.5
[M+H-H2O]+ 141.07157 113.8
[M+HCOO]- 203.07251 142.6
[M+CH3COO]- 217.08816 187.6
[M+Na-2H]- 179.04898 130.8
[M]+ 158.07376 139.6
[M]- 158.07486 139.6
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

patents stripe