CID 67761025

4-chloro-6,7-dimethoxy-2-benzoxazolinone

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
COC1=CC(=C2C(=C1OC)OC(=O)N2)Cl
InChI
InChI=1S/C9H8ClNO4/c1-13-5-3-4(10)6-8(7(5)14-2)15-9(12)11-6/h3H,1-2H3,(H,11,12)
InChIKey
VTZLLYJSIAQXFJ-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dimethoxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.01419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02147 140.9
[M+Na]+ 252.00341 154.8
[M-H]- 228.00691 145.1
[M+NH4]+ 247.04801 160.4
[M+K]+ 267.97735 151.8
[M+H-H2O]+ 212.01145 136.2
[M+HCOO]- 274.01239 160.2
[M+CH3COO]- 288.02804 184.6
[M+Na-2H]- 249.98886 147.9
[M]+ 229.01364 149.7
[M]- 229.01474 149.7
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