CID 3011881

2-(2-chlorophenyl)benzo[h][3,1]benzoxazin-4-one

Structural Information

Molecular Formula
C18H10ClNO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(OC3=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H10ClNO2/c19-15-8-4-3-7-13(15)17-20-16-12-6-2-1-5-11(12)9-10-14(16)18(21)22-17/h1-10H
InChIKey
YCRAYDWMMFMJNG-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)benzo[h][3,1]benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.04 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04728 167.0
[M+Na]+ 330.02922 180.4
[M-H]- 306.03272 175.7
[M+NH4]+ 325.07382 182.2
[M+K]+ 346.00316 174.1
[M+H-H2O]+ 290.03726 158.0
[M+HCOO]- 352.03820 184.3
[M+CH3COO]- 366.05385 180.1
[M+Na-2H]- 328.01467 176.8
[M]+ 307.03945 173.2
[M]- 307.04055 173.2
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.