CID 3071994

(1,2,4)triazino(3,4-c)(1,4)benzoxazin-2(1h)-one, 3,5-dihydro-8-chloro-

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1C(=O)NN=C2N1C3=C(C=C(C=C3)Cl)OC2
InChI
InChI=1S/C10H8ClN3O2/c11-6-1-2-7-8(3-6)16-5-9-12-13-10(15)4-14(7)9/h1-3H,4-5H2,(H,13,15)
InChIKey
GATDJUGFJAVTJC-UHFFFAOYSA-N
Compound name
8-chloro-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 148.2
[M+Na]+ 260.019718 158.3
[M-H]- 236.023224 148.4
[M+NH4]+ 255.064323 162.7
[M+K]+ 275.993658 153.7
[M+H-H2O]+ 220.027760 140.0
[M+HCOO]- 282.028701 157.1
[M+CH3COO]- 296.044351 159.2
[M+Na-2H]- 258.005166 156.4
[M]+ 237.02995142 147.2
[M]- 237.03104858 147.2
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.