CID 3024504

95923-41-4

Structural Information

Molecular Formula
C16H10ClNO4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)C(=O)CCl
InChI
InChI=1S/C16H10ClNO4/c17-9-14(19)18-12-7-6-11(8-13(12)22-16(18)21)15(20)10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
AKRSCKRYGNDLOQ-UHFFFAOYSA-N
Compound name
6-benzoyl-3-(2-chloroacetyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.02985 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03713 166.9
[M+Na]+ 338.01907 178.5
[M-H]- 314.02257 175.1
[M+NH4]+ 333.06367 182.4
[M+K]+ 353.99301 174.3
[M+H-H2O]+ 298.02711 159.9
[M+HCOO]- 360.02805 185.0
[M+CH3COO]- 374.04370 202.3
[M+Na-2H]- 336.00452 170.9
[M]+ 315.02930 174.5
[M]- 315.03040 174.5
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.