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 163.9
[M+Na]+ 310.06054 172.9
[M-H]- 286.06404 170.3
[M+NH4]+ 305.10514 178.7
[M+K]+ 326.03448 168.0
[M+H-H2O]+ 270.06858 155.6
[M+HCOO]- 332.06952 178.2
[M+CH3COO]- 346.08517 175.6
[M+Na-2H]- 308.04599 169.9
[M]+ 287.07077 166.1
[M]- 287.07187 166.1
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.