CID 3053057

As-triazine, 5-(m-chlorophenyl)-3-methoxy-

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
COC1=NC(=CN=N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKey
HBQQTUZFVAWGRS-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.03558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 144.0
[M+Na]+ 244.02480 154.9
[M-H]- 220.02830 146.8
[M+NH4]+ 239.06940 159.1
[M+K]+ 259.99874 150.1
[M+H-H2O]+ 204.03284 135.1
[M+HCOO]- 266.03378 161.0
[M+CH3COO]- 280.04943 156.8
[M+Na-2H]- 242.01025 152.4
[M]+ 221.03503 147.2
[M]- 221.03613 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

patents stripe