CID 22324092

2-(aminomethyl)-4,6-dibromoaniline dihydrochloride

Structural Information

Molecular Formula
C7H8Br2N2
SMILES
C1=C(C=C(C(=C1CN)N)Br)Br
InChI
InChI=1S/C7H8Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,3,10-11H2
InChIKey
NAIJZCXBMHHHDM-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4,6-dibromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

277.90543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.912706 139.6
[M+Na]+ 300.894648 150.2
[M-H]- 276.898154 145.6
[M+NH4]+ 295.939253 158.4
[M+K]+ 316.868588 133.1
[M+H-H2O]+ 260.902690 145.6
[M+HCOO]- 322.903631 156.6
[M+CH3COO]- 336.919281 204.4
[M+Na-2H]- 298.880096 145.3
[M]+ 277.90488142 170.3
[M]- 277.90597858 170.3
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