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]+ 288.04218 160.8
[M+Na]+ 310.02412 169.7
[M-H]- 286.02762 166.3
[M+NH4]+ 305.06872 174.7
[M+K]+ 325.99806 164.7
[M+H-H2O]+ 270.03216 153.3
[M+HCOO]- 332.03310 173.4
[M+CH3COO]- 346.04875 172.1
[M+Na-2H]- 308.00957 166.0
[M]+ 287.03435 161.1
[M]- 287.03545 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.