CID 22238123

3-fluoro-5-(morpholin-4-yl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H12FNO3
SMILES
C1COCCN1C2=CC(=CC(=C2)C(=O)O)F
InChI
InChI=1S/C11H12FNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7H,1-4H2,(H,14,15)
InChIKey
IDLGYCXCGFKTDV-UHFFFAOYSA-N
Compound name
3-fluoro-5-morpholin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

225.08012 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08740 147.2
[M+Na]+ 248.06934 153.5
[M-H]- 224.07284 150.2
[M+NH4]+ 243.11394 161.7
[M+K]+ 264.04328 152.0
[M+H-H2O]+ 208.07738 138.8
[M+HCOO]- 270.07832 163.3
[M+CH3COO]- 284.09397 185.3
[M+Na-2H]- 246.05479 151.1
[M]+ 225.07957 142.9
[M]- 225.08067 142.9
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