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]+ 242.02147 144.9
[M+Na]+ 264.00341 157.4
[M-H]- 240.00691 148.8
[M+NH4]+ 259.04801 163.5
[M+K]+ 279.97735 154.1
[M+H-H2O]+ 224.01145 140.0
[M+HCOO]- 286.01239 163.1
[M+CH3COO]- 300.02804 186.4
[M+Na-2H]- 261.98886 150.9
[M]+ 241.01364 152.4
[M]- 241.01474 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.