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]+ 226.02655 141.9
[M+Na]+ 248.00849 155.0
[M-H]- 224.01199 147.0
[M+NH4]+ 243.05309 161.9
[M+K]+ 263.98243 151.9
[M+H-H2O]+ 208.01653 136.8
[M+HCOO]- 270.01747 161.3
[M+CH3COO]- 284.03312 186.7
[M+Na-2H]- 245.99394 148.1
[M]+ 225.01872 149.7
[M]- 225.01982 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.