CID 15636

5-chloro-6-methoxy-2-benzoxazolinone

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
COC1=C(C=C2C(=C1)OC(=O)N2)Cl
InChI
InChI=1S/C8H6ClNO3/c1-12-6-3-7-5(2-4(6)9)10-8(11)13-7/h2-3H,1H3,(H,10,11)
InChIKey
QQQYQWNSMUHSCK-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.00362 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 133.7
[M+Na]+ 221.99284 147.3
[M-H]- 197.99634 137.7
[M+NH4]+ 217.03744 154.2
[M+K]+ 237.96678 143.9
[M+H-H2O]+ 182.00088 129.1
[M+HCOO]- 244.00182 153.1
[M+CH3COO]- 258.01747 178.1
[M+Na-2H]- 219.97829 141.8
[M]+ 199.00307 140.3
[M]- 199.00417 140.3
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.