CID 23423548

5-bromobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1=C(C=C(C=C1N)Br)N
InChI
InChI=1S/C6H7BrN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
InChIKey
MCGDFFHOFXZDDV-UHFFFAOYSA-N
Compound name
5-bromobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

185.97926 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 129.9
[M+Na]+ 208.968478 141.5
[M-H]- 184.971984 135.7
[M+NH4]+ 204.013083 152.3
[M+K]+ 224.942418 129.8
[M+H-H2O]+ 168.976520 129.3
[M+HCOO]- 230.977461 153.2
[M+CH3COO]- 244.993111 183.4
[M+Na-2H]- 206.953926 137.4
[M]+ 185.97871142 144.4
[M]- 185.97980858 144.4
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