CID 3047720

4,4'-oxybis(2,6-dibromoaniline)

Structural Information

Molecular Formula
C12H8Br4N2O
SMILES
C1=C(C=C(C(=C1Br)N)Br)OC2=CC(=C(C(=C2)Br)N)Br
InChI
InChI=1S/C12H8Br4N2O/c13-7-1-5(2-8(14)11(7)17)19-6-3-9(15)12(18)10(16)4-6/h1-4H,17-18H2
InChIKey
XILHJTXOEMTUQR-UHFFFAOYSA-N
Compound name
4-(4-amino-3,5-dibromophenoxy)-2,6-dibromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

511.737 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.74428 165.4
[M+Na]+ 534.72622 170.3
[M-H]- 510.72972 169.7
[M+NH4]+ 529.77082 173.8
[M+K]+ 550.70016 156.6
[M+H-H2O]+ 494.73426 181.1
[M+HCOO]- 556.73520 170.8
[M+CH3COO]- 570.75085 241.8
[M+Na-2H]- 532.71167 165.6
[M]+ 511.73645 202.6
[M]- 511.73755 202.6
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