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

4
Patents

221.03558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.042856 144.0
[M+Na]+ 244.024798 154.9
[M-H]- 220.028304 146.8
[M+NH4]+ 239.069403 159.1
[M+K]+ 259.998738 150.1
[M+H-H2O]+ 204.032840 135.1
[M+HCOO]- 266.033781 161.0
[M+CH3COO]- 280.049431 156.8
[M+Na-2H]- 242.010246 152.4
[M]+ 221.03503142 147.2
[M]- 221.03612858 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