CID 3011880

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

Structural Information

Molecular Formula
C18H10BrNO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(OC3=O)C4=CC=CC=C4Br
InChI
InChI=1S/C18H10BrNO2/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
MTOMDFSLQNFJDY-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)benzo[h][3,1]benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.9895 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99678 172.6
[M+Na]+ 373.97872 186.8
[M-H]- 349.98222 183.5
[M+NH4]+ 369.02332 188.8
[M+K]+ 389.95266 175.5
[M+H-H2O]+ 333.98676 170.3
[M+HCOO]- 395.98770 192.0
[M+CH3COO]- 410.00335 186.8
[M+Na-2H]- 371.96417 183.1
[M]+ 350.98895 194.5
[M]- 350.99005 194.5
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.