CID 3084669

37710-57-9

Structural Information

Molecular Formula
C14H2Br7NO2
SMILES
C1=C(C=C(C(=C1Br)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C14H2Br7NO2/c15-3-1-4(16)12(5(17)2-3)22-13(23)6-7(14(22)24)9(19)11(21)10(20)8(6)18/h1-2H
InChIKey
MXOORBGSTYBSFP-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-(2,4,6-tribromophenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

768.4369 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.44418 182.1
[M+Na]+ 791.42612 192.8
[M-H]- 767.42962 186.1
[M+NH4]+ 786.47072 186.9
[M+K]+ 807.40006 183.4
[M+H-H2O]+ 751.43416 191.9
[M+HCOO]- 813.43510 184.5
[M+CH3COO]- 827.45075 183.8
[M+Na-2H]- 789.41157 179.7
[M]+ 768.43635 195.1
[M]- 768.43745 195.1
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