CID 71343220

140225-78-1

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
CC1(CON(C1=O)CC2=C(C=CC(=C2)O)Cl)C
InChI
InChI=1S/C12H14ClNO3/c1-12(2)7-17-14(11(12)16)6-8-5-9(15)3-4-10(8)13/h3-5,15H,6-7H2,1-2H3
InChIKey
WWPMUDRCXMUBOU-UHFFFAOYSA-N
Compound name
2-[(2-chloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06622 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 152.6
[M+Na]+ 278.05544 163.2
[M-H]- 254.05894 158.1
[M+NH4]+ 273.10004 171.6
[M+K]+ 294.02938 159.7
[M+H-H2O]+ 238.06348 147.6
[M+HCOO]- 300.06442 168.1
[M+CH3COO]- 314.08007 190.0
[M+Na-2H]- 276.04089 155.8
[M]+ 255.06567 155.7
[M]- 255.06677 155.7
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.