CID 98166

2-fluoropentanedioic acid

Structural Information

Molecular Formula
C5H7FO4
SMILES
C(CC(=O)O)C(C(=O)O)F
InChI
InChI=1S/C5H7FO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2H2,(H,7,8)(H,9,10)
InChIKey
BBEYGPGFCBBSDN-UHFFFAOYSA-N
Compound name
2-fluoropentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

150.03284 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04012 127.2
[M+Na]+ 173.02206 133.8
[M-H]- 149.02556 123.5
[M+NH4]+ 168.06666 146.6
[M+K]+ 188.99600 133.6
[M+H-H2O]+ 133.03010 122.0
[M+HCOO]- 195.03104 145.6
[M+CH3COO]- 209.04669 170.4
[M+Na-2H]- 171.00751 129.4
[M]+ 150.03229 125.4
[M]- 150.03339 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe