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

9
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

literature stripe

Patent stripe

patents stripe