CID 62306

Benoxacor

Structural Information

Molecular Formula
C11H11Cl2NO2
SMILES
CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
InChI
InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
InChIKey
PFJJMJDEVDLPNE-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

29
References

17915
Patents

259.0167 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02398 151.2
[M+Na]+ 282.00592 159.9
[M-H]- 258.00942 154.0
[M+NH4]+ 277.05052 167.8
[M+K]+ 297.97986 156.4
[M+H-H2O]+ 242.01396 145.9
[M+HCOO]- 304.01490 158.9
[M+CH3COO]- 318.03055 193.1
[M+Na-2H]- 279.99137 155.4
[M]+ 259.01615 153.7
[M]- 259.01725 153.7
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.