CID 30432

Brn 1581221

Structural Information

Molecular Formula
C14H10ClNO2
SMILES
C1N(C(=O)C2=CC=CC=C2O1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClNO2/c15-10-5-7-11(8-6-10)16-9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9H2
InChIKey
ISMBHSCIMJVEOX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.04 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04728 154.5
[M+Na]+ 282.02922 164.4
[M-H]- 258.03272 161.3
[M+NH4]+ 277.07382 170.5
[M+K]+ 298.00316 159.9
[M+H-H2O]+ 242.03726 146.7
[M+HCOO]- 304.03820 169.4
[M+CH3COO]- 318.05385 167.0
[M+Na-2H]- 280.01467 161.6
[M]+ 259.03945 156.0
[M]- 259.04055 156.0
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.