CID 122910

32588-74-2

Structural Information

Molecular Formula
C29H10Br8N2O4
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Br)Br)Br)Br)N5C(=O)C6=C(C5=O)C(=C(C(=C6Br)Br)Br)Br
InChI
InChI=1S/C29H10Br8N2O4/c30-18-14-15(19(31)23(35)22(18)34)27(41)38(26(14)40)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)39-28(42)16-17(29(39)43)21(33)25(37)24(36)20(16)32/h1-8H,9H2
InChIKey
RHFKNNBDKARGKL-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-[4-[[4-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

1081.4108 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1082.4181 169.8
[M+Na]+ 1104.4000 169.8
[M+NH4]+ 1099.4446 169.8
[M+K]+ 1120.3740 169.8
[M-H]- 1080.4035 169.9
[M+Na-2H]- 1102.3855 169.8
[M]+ 1081.4103 169.8
[M]- 1081.4113 169.8
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