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 146.6
[M+Na]+ 287.98552 159.0
[M-H]- 263.98902 151.8
[M+NH4]+ 283.03012 162.1
[M+K]+ 303.95946 145.9
[M+H-H2O]+ 247.99356 143.6
[M+HCOO]- 309.99450 167.0
[M+CH3COO]- 324.01015 160.3
[M+Na-2H]- 285.97097 155.2
[M]+ 264.99575 162.1
[M]- 264.99685 162.1
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

patents stripe