CID 3087782

Brn 5964554

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO3/c16-11-4-1-9(2-5-11)15(19)10-3-6-12-13(7-10)20-8-14(18)17-12/h1-7H,8H2,(H,17,18)
InChIKey
BBUISRBREJZENZ-UHFFFAOYSA-N
Compound name
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0349 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.042176 160.8
[M+Na]+ 310.024118 169.7
[M-H]- 286.027624 166.3
[M+NH4]+ 305.068723 174.7
[M+K]+ 325.998058 164.7
[M+H-H2O]+ 270.032160 153.3
[M+HCOO]- 332.033101 173.4
[M+CH3COO]- 346.048751 172.1
[M+Na-2H]- 308.009566 166.0
[M]+ 287.03435142 161.1
[M]- 287.03544858 161.1
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.