CID 43621282

6-bromoquinoline-3,4-diamine

Structural Information

Molecular Formula
C9H8BrN3
SMILES
C1=CC2=NC=C(C(=C2C=C1Br)N)N
InChI
InChI=1S/C9H8BrN3/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H,11H2,(H2,12,13)
InChIKey
VSUQNFQMMYNTSK-UHFFFAOYSA-N
Compound name
6-bromoquinoline-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.99016 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99744 141.7
[M+Na]+ 259.97938 154.2
[M-H]- 235.98288 147.2
[M+NH4]+ 255.02398 162.1
[M+K]+ 275.95332 141.5
[M+H-H2O]+ 219.98742 140.5
[M+HCOO]- 281.98836 162.9
[M+CH3COO]- 296.00401 156.4
[M+Na-2H]- 257.96483 150.3
[M]+ 236.98961 157.3
[M]- 236.99071 157.3
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