CID 3053063

Brn 0819149

Structural Information

Molecular Formula
C16H11Cl2N3O
SMILES
COC1=NC(=C(N=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11Cl2N3O/c1-22-16-19-14(10-2-6-12(17)7-3-10)15(20-21-16)11-4-8-13(18)9-5-11/h2-9H,1H3
InChIKey
OBABGBDDCPDKMV-UHFFFAOYSA-N
Compound name
5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.02792 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03520 171.6
[M+Na]+ 354.01714 183.1
[M-H]- 330.02064 176.7
[M+NH4]+ 349.06174 182.5
[M+K]+ 369.99108 175.4
[M+H-H2O]+ 314.02518 160.9
[M+HCOO]- 376.02612 182.5
[M+CH3COO]- 390.04177 182.4
[M+Na-2H]- 352.00259 176.7
[M]+ 331.02737 176.2
[M]- 331.02847 176.2
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