CID 5252370

145193-69-7

Structural Information

Molecular Formula
C9H7FO2
SMILES
C12C3C4C1(C5C2C3(C45)F)C(=O)O
InChI
InChI=1S/C9H7FO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,(H,11,12)
InChIKey
FYGVUKWGPSBFGD-UHFFFAOYSA-N
Compound name
4-fluorocubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04301 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.050286 207.3
[M+Na]+ 189.032228 208.2
[M-H]- 165.035734 210.8
[M+NH4]+ 184.076833 203.6
[M+K]+ 205.006168 212.0
[M+H-H2O]+ 149.040270 196.0
[M+HCOO]- 211.041211 208.6
[M+CH3COO]- 225.056861 258.9
[M+Na-2H]- 187.017676 201.9
[M]+ 166.04246142 226.4
[M]- 166.04355858 226.4
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.