CID 10411

4-fluorobutanoic acid

Structural Information

Molecular Formula
C4H7FO2
SMILES
C(CC(=O)O)CF
InChI
InChI=1S/C4H7FO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey
BDXSWIQVLYXSSU-UHFFFAOYSA-N
Compound name
4-fluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

445
Patents

106.04301 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05029 117.4
[M+Na]+ 129.03223 125.1
[M-H]- 105.03573 115.3
[M+NH4]+ 124.07683 139.7
[M+K]+ 145.00617 124.9
[M+H-H2O]+ 89.040270 112.6
[M+HCOO]- 151.04121 139.0
[M+CH3COO]- 165.05686 165.0
[M+Na-2H]- 127.01768 123.3
[M]+ 106.04246 116.4
[M]- 106.04356 116.4
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