CID 383754

62477-23-0

Structural Information

Molecular Formula
C12H8Br4N2
SMILES
C1=C(C=C(C(=C1Br)N)Br)C2=CC(=C(C(=C2)Br)N)Br
InChI
InChI=1S/C12H8Br4N2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,17-18H2
InChIKey
XSSHPNOMIXIEKR-UHFFFAOYSA-N
Compound name
4-(4-amino-3,5-dibromophenyl)-2,6-dibromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

495.7421 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.74938 164.8
[M+Na]+ 518.73132 169.9
[M-H]- 494.73482 169.1
[M+NH4]+ 513.77592 173.4
[M+K]+ 534.70526 156.0
[M+H-H2O]+ 478.73936 180.6
[M+HCOO]- 540.74030 170.1
[M+CH3COO]- 554.75595 241.1
[M+Na-2H]- 516.71677 165.0
[M]+ 495.74155 201.5
[M]- 495.74265 201.5
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