CID 3080426

Brn 4332788

Structural Information

Molecular Formula
C17H15BrCl2N2O3
SMILES
CC(C(=O)NNC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O)Br
InChI
InChI=1S/C17H15BrCl2N2O3/c1-10(18)15(23)21-22-16(24)17(25,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-10,25H,1H3,(H,21,23)(H,22,24)
InChIKey
VCERDZUHFIWXAW-UHFFFAOYSA-N
Compound name
N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.96432 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.97160 189.1
[M+Na]+ 466.95354 191.5
[M+NH4]+ 461.99814 191.8
[M+K]+ 482.92748 191.5
[M-H]- 442.95704 190.0
[M+Na-2H]- 464.93899 191.9
[M]+ 443.96377 188.9
[M]- 443.96487 188.9
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.