CID 16772

2275-07-2

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1=CC2=C(C=C1Cl)OC(=O)N2CO
InChI
InChI=1S/C8H6ClNO3/c9-5-1-2-6-7(3-5)13-8(12)10(6)4-11/h1-3,11H,4H2
InChIKey
PYDBIEBVVJRJRV-UHFFFAOYSA-N
Compound name
6-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

199.00362 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.010896 133.7
[M+Na]+ 221.992838 147.3
[M-H]- 197.996344 137.7
[M+NH4]+ 217.037443 154.2
[M+K]+ 237.966778 143.9
[M+H-H2O]+ 182.000880 129.1
[M+HCOO]- 244.001821 153.1
[M+CH3COO]- 258.017471 178.1
[M+Na-2H]- 219.978286 141.8
[M]+ 199.00307142 140.3
[M]- 199.00416858 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

patents stripe