CID 12389913

(3,4-dibromophenyl)methanamine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
C1=CC(=C(C=C1CN)Br)Br
InChI
InChI=1S/C7H7Br2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey
UXMFUBINPABFSZ-UHFFFAOYSA-N
Compound name
(3,4-dibromophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.89453 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.901806 135.0
[M+Na]+ 285.883748 146.0
[M-H]- 261.887254 141.5
[M+NH4]+ 280.928353 154.9
[M+K]+ 301.857688 129.9
[M+H-H2O]+ 245.891790 142.5
[M+HCOO]- 307.892731 152.1
[M+CH3COO]- 321.908381 200.2
[M+Na-2H]- 283.869196 142.4
[M]+ 262.89398142 167.2
[M]- 262.89507858 167.2
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