CID 15955772

Schembl6501226

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c1-8-4-2-7-11-12(8)14(20)21-15(18-11)19-13-9(16)5-3-6-10(13)17/h2-7H,1H3,(H,18,19)
InChIKey
WBIWWPXHPWTCTN-UHFFFAOYSA-N
Compound name
2-(2,6-dichloroanilino)-5-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

320.01193 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 169.0
[M+Na]+ 343.00115 181.7
[M-H]- 319.00465 176.1
[M+NH4]+ 338.04575 183.4
[M+K]+ 358.97509 175.7
[M+H-H2O]+ 303.00919 161.6
[M+HCOO]- 365.01013 182.2
[M+CH3COO]- 379.02578 181.4
[M+Na-2H]- 340.98660 175.5
[M]+ 320.01138 175.3
[M]- 320.01248 175.3
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

patents stripe