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

37
Patents

264.9963 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.003576 146.6
[M+Na]+ 287.985518 159.0
[M-H]- 263.989024 151.8
[M+NH4]+ 283.030123 162.1
[M+K]+ 303.959458 145.9
[M+H-H2O]+ 247.993560 143.6
[M+HCOO]- 309.994501 167.0
[M+CH3COO]- 324.010151 160.3
[M+Na-2H]- 285.970966 155.2
[M]+ 264.99575142 162.1
[M]- 264.99684858 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