CID 137942668

2-fluoro-4-(oxan-2-yloxy)benzoic acid

Structural Information

Molecular Formula
C12H13FO4
SMILES
C1CCOC(C1)OC2=CC(=C(C=C2)C(=O)O)F
InChI
InChI=1S/C12H13FO4/c13-10-7-8(4-5-9(10)12(14)15)17-11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2,(H,14,15)
InChIKey
OETGAWNRCYKXNA-UHFFFAOYSA-N
Compound name
2-fluoro-4-(oxan-2-yloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.07979 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.087066 150.0
[M+Na]+ 263.069008 155.7
[M-H]- 239.072514 154.3
[M+NH4]+ 258.113613 165.1
[M+K]+ 279.042948 154.7
[M+H-H2O]+ 223.077050 142.2
[M+HCOO]- 285.077991 167.3
[M+CH3COO]- 299.093641 187.8
[M+Na-2H]- 261.054456 153.4
[M]+ 240.07924142 147.0
[M]- 240.08033858 147.0
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