CID 3042975

6-(2-chloroacetyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
CN1C2=C(C=C(C=C2)C(=O)CCl)OC1=O
InChI
InChI=1S/C10H8ClNO3/c1-12-7-3-2-6(8(13)5-11)4-9(7)15-10(12)14/h2-4H,5H2,1H3
InChIKey
VDISGHMLFHYHFJ-UHFFFAOYSA-N
Compound name
6-(2-chloroacetyl)-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 141.9
[M+Na]+ 248.008488 155.0
[M-H]- 224.011994 147.0
[M+NH4]+ 243.053093 161.9
[M+K]+ 263.982428 151.9
[M+H-H2O]+ 208.016530 136.8
[M+HCOO]- 270.017471 161.3
[M+CH3COO]- 284.033121 186.7
[M+Na-2H]- 245.993936 148.1
[M]+ 225.01872142 149.7
[M]- 225.01981858 149.7
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

No patent data available for this compound.