CID 746710

30508-74-8

Structural Information

Molecular Formula
C9H8BrN5
SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)Br
InChI
InChI=1S/C9H8BrN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
IFTSWIQNKJOSLN-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

264.9963 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.00358 150.4
[M+Na]+ 287.98552 154.8
[M+NH4]+ 283.03012 154.2
[M+K]+ 303.95946 154.8
[M-H]- 263.98902 152.4
[M+Na-2H]- 285.97097 155.8
[M]+ 264.99575 150.3
[M]- 264.99685 150.3
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