CID 22097071

6-bromonaphthalene-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC2=C(C=CC(=C2N)N)C=C1Br
InChI
InChI=1S/C10H9BrN2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H,12-13H2
InChIKey
XTONHEFSOWWNHK-UHFFFAOYSA-N
Compound name
6-bromonaphthalene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

235.9949 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.002176 143.1
[M+Na]+ 258.984118 155.1
[M-H]- 234.987624 149.8
[M+NH4]+ 254.028723 164.7
[M+K]+ 274.958058 142.5
[M+H-H2O]+ 218.992160 142.4
[M+HCOO]- 280.993101 165.1
[M+CH3COO]- 295.008751 158.0
[M+Na-2H]- 256.969566 151.0
[M]+ 235.99435142 158.4
[M]- 235.99544858 158.4
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