CID 3053043

As-triazine, 5-(p-bromophenyl)-3-methoxy-

Structural Information

Molecular Formula

C₁₀H₈BrN₃O

SMILES

COC1=NC(=CN=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H8BrN3O/c1-15-10-13-9(6-12-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3

InChIKey

WNRBFQYQJXQZTK-UHFFFAOYSA-N

Compound name

5-(4-bromophenyl)-3-methoxy-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.98508 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.99236	145.2
[M+Na]+	287.97430	158.2
[M-H]-	263.97780	151.0
[M+NH4]+	283.01890	161.8
[M+K]+	303.94824	146.9
[M+H-H2O]+	247.98234	143.2
[M+HCOO]-	309.98328	164.9
[M+CH3COO]-	323.99893	159.8
[M+Na-2H]-	285.95975	155.3
[M]+	264.98453	165.3
[M]-	264.98563	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe