CID 21529873

4,6-dibromobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H6Br2N2
SMILES
C1=C(C(=CC(=C1N)Br)Br)N
InChI
InChI=1S/C6H6Br2N2/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,9-10H2
InChIKey
MWJAGLVFLTXBAB-UHFFFAOYSA-N
Compound name
4,6-dibromobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

263.88977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.897046 135.5
[M+Na]+ 286.878988 146.4
[M-H]- 262.882494 141.7
[M+NH4]+ 281.923593 154.8
[M+K]+ 302.852928 129.6
[M+H-H2O]+ 246.887030 141.8
[M+HCOO]- 308.887971 152.8
[M+CH3COO]- 322.903621 202.1
[M+Na-2H]- 284.864436 141.7
[M]+ 263.88922142 166.0
[M]- 263.89031858 166.0
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