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]+ 237.997436 141.7
[M+Na]+ 259.979378 154.2
[M-H]- 235.982884 147.2
[M+NH4]+ 255.023983 162.1
[M+K]+ 275.953318 141.5
[M+H-H2O]+ 219.987420 140.5
[M+HCOO]- 281.988361 162.9
[M+CH3COO]- 296.004011 156.4
[M+Na-2H]- 257.964826 150.3
[M]+ 236.98961142 157.3
[M]- 236.99070858 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