CID 206118

42902-30-7

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1C(OC(=O)N1C2=CC(=CC=C2)Cl)CO
InChI
InChI=1S/C10H10ClNO3/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14/h1-4,9,13H,5-6H2
InChIKey
NWTBJKLAXANGHG-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 146.1
[M+Na]+ 250.02415 155.6
[M-H]- 226.02765 151.1
[M+NH4]+ 245.06875 163.7
[M+K]+ 265.99809 152.3
[M+H-H2O]+ 210.03219 140.2
[M+HCOO]- 272.03313 162.1
[M+CH3COO]- 286.04878 183.2
[M+Na-2H]- 248.00960 149.5
[M]+ 227.03438 147.6
[M]- 227.03548 147.6
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.