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

96
Patents

235.9949 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 143.1
[M+Na]+ 258.98412 155.1
[M-H]- 234.98762 149.8
[M+NH4]+ 254.02872 164.7
[M+K]+ 274.95806 142.5
[M+H-H2O]+ 218.99216 142.4
[M+HCOO]- 280.99310 165.1
[M+CH3COO]- 295.00875 158.0
[M+Na-2H]- 256.96957 151.0
[M]+ 235.99435 158.4
[M]- 235.99545 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