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]+ 238.03778 148.2
[M+Na]+ 260.01972 158.3
[M-H]- 236.02322 148.4
[M+NH4]+ 255.06432 162.7
[M+K]+ 275.99366 153.7
[M+H-H2O]+ 220.02776 140.0
[M+HCOO]- 282.02870 157.1
[M+CH3COO]- 296.04435 159.2
[M+Na-2H]- 258.00517 156.4
[M]+ 237.02995 147.2
[M]- 237.03105 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.