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

13
Patents

263.88977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.89705 135.5
[M+Na]+ 286.87899 146.4
[M-H]- 262.88249 141.7
[M+NH4]+ 281.92359 154.8
[M+K]+ 302.85293 129.6
[M+H-H2O]+ 246.88703 141.8
[M+HCOO]- 308.88797 152.8
[M+CH3COO]- 322.90362 202.1
[M+Na-2H]- 284.86444 141.7
[M]+ 263.88922 166.0
[M]- 263.89032 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