CID 3058049

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

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CCOC1=NC(=CN=N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H10ClN3O/c1-2-16-11-14-10(7-13-15-11)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3
InChIKey
ZDPNHZDRBBDUKE-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05124 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 148.6
[M+Na]+ 258.04046 159.0
[M-H]- 234.04396 151.2
[M+NH4]+ 253.08506 163.1
[M+K]+ 274.01440 154.0
[M+H-H2O]+ 218.04850 139.4
[M+HCOO]- 280.04944 165.3
[M+CH3COO]- 294.06509 160.9
[M+Na-2H]- 256.02591 156.4
[M]+ 235.05069 152.1
[M]- 235.05179 152.1
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.