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]+ 167.05029 207.3
[M+Na]+ 189.03223 208.2
[M-H]- 165.03573 210.8
[M+NH4]+ 184.07683 203.6
[M+K]+ 205.00617 212.0
[M+H-H2O]+ 149.04027 196.0
[M+HCOO]- 211.04121 208.6
[M+CH3COO]- 225.05686 258.9
[M+Na-2H]- 187.01768 201.9
[M]+ 166.04246 226.4
[M]- 166.04356 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.