CID 91619941

7-bromoquinoline-3,4-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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

literature stripe

Patent stripe

patents stripe