CID 776366

19739-40-3

Structural Information

Molecular Formula
C9H6ClNO4
SMILES
C1=CC2=C(C=C1Cl)OC(=O)N2CC(=O)O
InChI
InChI=1S/C9H6ClNO4/c10-5-1-2-6-7(3-5)15-9(14)11(6)4-8(12)13/h1-3H,4H2,(H,12,13)
InChIKey
GZVFFZYANBZGHW-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

226.99854 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00582 140.1
[M+Na]+ 249.98776 153.0
[M-H]- 225.99126 144.1
[M+NH4]+ 245.03236 159.2
[M+K]+ 265.96170 149.9
[M+H-H2O]+ 209.99580 135.4
[M+HCOO]- 271.99674 158.6
[M+CH3COO]- 286.01239 183.4
[M+Na-2H]- 247.97321 146.6
[M]+ 226.99799 147.2
[M]- 226.99909 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe