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

95
Patents

185.97926 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 129.9
[M+Na]+ 208.96848 141.5
[M-H]- 184.97198 135.7
[M+NH4]+ 204.01308 152.3
[M+K]+ 224.94242 129.8
[M+H-H2O]+ 168.97652 129.3
[M+HCOO]- 230.97746 153.2
[M+CH3COO]- 244.99311 183.4
[M+Na-2H]- 206.95393 137.4
[M]+ 185.97871 144.4
[M]- 185.97981 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