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 187.9
[M+Na]+ 466.95354 196.9
[M-H]- 442.95704 194.9
[M+NH4]+ 461.99814 201.0
[M+K]+ 482.92748 182.4
[M+H-H2O]+ 426.96158 187.3
[M+HCOO]- 488.96252 196.7
[M+CH3COO]- 502.97817 221.9
[M+Na-2H]- 464.93899 190.6
[M]+ 443.96377 207.7
[M]- 443.96487 207.7
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.