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

23
Patents

277.90543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.91271 139.6
[M+Na]+ 300.89465 150.2
[M-H]- 276.89815 145.6
[M+NH4]+ 295.93925 158.4
[M+K]+ 316.86859 133.1
[M+H-H2O]+ 260.90269 145.6
[M+HCOO]- 322.90363 156.6
[M+CH3COO]- 336.91928 204.4
[M+Na-2H]- 298.88010 145.3
[M]+ 277.90488 170.3
[M]- 277.90598 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