CID 6484313

17124-56-0

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 145.2
[M+Na]+ 264.00341 159.3
[M+NH4]+ 259.04801 152.4
[M+K]+ 279.97735 155.8
[M-H]- 240.00691 146.5
[M+Na-2H]- 261.98886 149.7
[M]+ 241.01364 147.7
[M]- 241.01474 147.7
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.