CID 6484313

3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C10H8ClNO4
SMILES
C1=CC2=C(C=C1Cl)OC(=O)N2CCC(=O)O
InChI
InChI=1S/C10H8ClNO4/c11-6-1-2-7-8(5-6)16-10(15)12(7)4-3-9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
MFDFGXAEYPOBHG-UHFFFAOYSA-N
Compound name
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.021466 144.9
[M+Na]+ 264.003408 157.4
[M-H]- 240.006914 148.8
[M+NH4]+ 259.048013 163.5
[M+K]+ 279.977348 154.1
[M+H-H2O]+ 224.011450 140.0
[M+HCOO]- 286.012391 163.1
[M+CH3COO]- 300.028041 186.4
[M+Na-2H]- 261.988856 150.9
[M]+ 241.01364142 152.4
[M]- 241.01473858 152.4
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.