CID 137943501

2287313-60-2

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1CC2(C1)CC(C2)(C(=O)O)F
InChI
InChI=1S/C8H11FO2/c9-8(6(10)11)4-7(5-8)2-1-3-7/h1-5H2,(H,10,11)
InChIKey
POHVEPDMHAIVNK-UHFFFAOYSA-N
Compound name
2-fluorospiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.07431 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08159 130.1
[M+Na]+ 181.06353 135.0
[M-H]- 157.06703 133.6
[M+NH4]+ 176.10813 140.7
[M+K]+ 197.03747 138.8
[M+H-H2O]+ 141.07157 118.4
[M+HCOO]- 203.07251 146.0
[M+CH3COO]- 217.08816 186.4
[M+Na-2H]- 179.04898 135.5
[M]+ 158.07376 142.9
[M]- 158.07486 142.9
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.