CID 2734

6-hydroxychlorzoxazone

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=C2C(=CC(=C1Cl)O)OC(=O)N2
InChI
InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
InChIKey
AGLXDWOTVQZHIQ-UHFFFAOYSA-N
Compound name
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

96
References

242
Patents

184.98798 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99526 129.4
[M+Na]+ 207.97720 143.0
[M-H]- 183.98070 132.2
[M+NH4]+ 203.02180 149.8
[M+K]+ 223.95114 139.0
[M+H-H2O]+ 167.98524 125.3
[M+HCOO]- 229.98618 147.7
[M+CH3COO]- 244.00183 144.5
[M+Na-2H]- 205.96265 137.6
[M]+ 184.98743 133.8
[M]- 184.98853 133.8
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