CID 12811046

80959-17-7

Structural Information

Molecular Formula
C12H12ClNO3
SMILES
CC1(C(=O)N(OC1=O)CC2=CC=CC=C2Cl)C
InChI
InChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKey
WPSHDIROLRLHJR-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

253.05057 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.057846 150.7
[M+Na]+ 276.039788 162.0
[M-H]- 252.043294 157.6
[M+NH4]+ 271.084393 170.3
[M+K]+ 292.013728 158.8
[M+H-H2O]+ 236.047830 145.5
[M+HCOO]- 298.048771 167.9
[M+CH3COO]- 312.064421 191.7
[M+Na-2H]- 274.025236 154.3
[M]+ 253.05002142 154.9
[M]- 253.05111858 154.9
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