CID 572100

50768-79-1

Structural Information

Molecular Formula
C11H9Br2N5
SMILES
C1=CC(=C(C=C1N)N)N=NC2=C(C=C(C=N2)Br)Br
InChI
InChI=1S/C11H9Br2N5/c12-6-3-8(13)11(16-5-6)18-17-10-2-1-7(14)4-9(10)15/h1-5H,14-15H2
InChIKey
NDSPKICAQDKJTG-UHFFFAOYSA-N
Compound name
4-[(3,5-dibromopyridin-2-yl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

368.92245 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.92973 154.5
[M+Na]+ 391.91167 164.1
[M-H]- 367.91517 163.6
[M+NH4]+ 386.95627 169.5
[M+K]+ 407.88561 147.1
[M+H-H2O]+ 351.91971 157.6
[M+HCOO]- 413.92065 174.4
[M+CH3COO]- 427.93630 223.4
[M+Na-2H]- 389.89712 161.4
[M]+ 368.92190 186.2
[M]- 368.92300 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe