CID 40152269

1150617-62-1

Structural Information

Molecular Formula
C6H9FO3
SMILES
C1COCCC1(C(=O)O)F
InChI
InChI=1S/C6H9FO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)
InChIKey
CGKBHMJXQWPYDK-UHFFFAOYSA-N
Compound name
4-fluorooxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

148.05357 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 127.1
[M+Na]+ 171.04279 133.2
[M-H]- 147.04629 128.3
[M+NH4]+ 166.08739 147.9
[M+K]+ 187.01673 134.0
[M+H-H2O]+ 131.05083 122.0
[M+HCOO]- 193.05177 144.7
[M+CH3COO]- 207.06742 169.0
[M+Na-2H]- 169.02824 133.8
[M]+ 148.05302 122.5
[M]- 148.05412 122.5
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

patents stripe