CID 9638037

4-bromo-2-(2-(2-bromobenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C21H13Br2ClN2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3Br)Cl
InChI
InChI=1S/C21H13Br2ClN2O3/c22-14-9-10-19(29-21(28)16-6-2-4-8-18(16)24)13(11-14)12-25-26-20(27)15-5-1-3-7-17(15)23/h1-12H,(H,26,27)/b25-12+
InChIKey
CIBLNXPYLZBILQ-BRJLIKDPSA-N
Compound name
[4-bromo-2-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.89813 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.90541 194.0
[M+Na]+ 556.88735 202.3
[M-H]- 532.89085 205.4
[M+NH4]+ 551.93195 205.4
[M+K]+ 572.86129 185.6
[M+H-H2O]+ 516.89539 198.6
[M+HCOO]- 578.89633 207.1
[M+CH3COO]- 592.91198 238.7
[M+Na-2H]- 554.87280 196.6
[M]+ 533.89758 230.1
[M]- 533.89868 230.1
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

No patent data available for this compound.