CID 207062

Isophthalanilide, 4-hydroxy-2',2'',5',5''-tetrabromo-

Structural Information

Molecular Formula
C20H12Br4N2O3
SMILES
C1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)Br)Br)C(=O)NC3=C(C=CC(=C3)Br)Br)O
InChI
InChI=1S/C20H12Br4N2O3/c21-11-2-4-14(23)16(8-11)25-19(28)10-1-6-18(27)13(7-10)20(29)26-17-9-12(22)3-5-15(17)24/h1-9,27H,(H,25,28)(H,26,29)
InChIKey
KTGJMRGKXXGEPI-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(2,5-dibromophenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.7581 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.76538 184.7
[M+Na]+ 666.74732 187.2
[M-H]- 642.75082 189.1
[M+NH4]+ 661.79192 190.4
[M+K]+ 682.72126 174.7
[M+H-H2O]+ 626.75536 199.8
[M+HCOO]- 688.75630 188.5
[M+CH3COO]- 702.77195 248.8
[M+Na-2H]- 664.73277 183.0
[M]+ 643.75755 221.5
[M]- 643.75865 221.5
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

No patent data available for this compound.