CID 43803340

2-(3-fluorophenyl)-2-(morpholin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C12H14FNO3
SMILES
C1COCCN1C(C2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C12H14FNO3/c13-10-3-1-2-9(8-10)11(12(15)16)14-4-6-17-7-5-14/h1-3,8,11H,4-7H2,(H,15,16)
InChIKey
WMLCDNYERRLQSF-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09576 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10304 151.9
[M+Na]+ 262.08498 156.5
[M-H]- 238.08848 154.4
[M+NH4]+ 257.12958 165.4
[M+K]+ 278.05892 155.2
[M+H-H2O]+ 222.09302 143.2
[M+HCOO]- 284.09396 166.7
[M+CH3COO]- 298.10961 188.1
[M+Na-2H]- 260.07043 154.7
[M]+ 239.09521 146.9
[M]- 239.09631 146.9
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

No patent data available for this compound.