CID 30407

20973-04-0

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
C1=CC=C(C=C1)N2C(OC3=CC=CC=C3C2=O)CCCl
InChI
InChI=1S/C16H14ClNO2/c17-11-10-15-18(12-6-2-1-3-7-12)16(19)13-8-4-5-9-14(13)20-15/h1-9,15H,10-11H2
InChIKey
QAGJSBYMKABUQQ-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 163.3
[M+Na]+ 310.06054 180.3
[M+NH4]+ 305.10514 172.8
[M+K]+ 326.03448 171.0
[M-H]- 286.06404 169.7
[M+Na-2H]- 308.04599 171.6
[M]+ 287.07077 168.1
[M]- 287.07187 168.1
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.