CID 477143

6-chloro-4-ethynyl-4-phenyl-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C16H10ClNO2
SMILES
C#CC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C3=CC=CC=C3
InChI
InChI=1S/C16H10ClNO2/c1-2-16(11-6-4-3-5-7-11)13-10-12(17)8-9-14(13)18-15(19)20-16/h1,3-10H,(H,18,19)
InChIKey
NAMQDRAIXVFSMF-UHFFFAOYSA-N
Compound name
6-chloro-4-ethynyl-4-phenyl-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04728 164.2
[M+Na]+ 306.02922 177.4
[M-H]- 282.03272 167.3
[M+NH4]+ 301.07382 178.6
[M+K]+ 322.00316 167.6
[M+H-H2O]+ 266.03726 151.1
[M+HCOO]- 328.03820 172.4
[M+CH3COO]- 342.05385 174.1
[M+Na-2H]- 304.01467 169.4
[M]+ 283.03945 158.7
[M]- 283.04055 158.7
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.