CID 5339609

Ccg-8693

Structural Information

Molecular Formula
C16H13Br3N2O3
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C\C2=C(C(=C(C=C2Br)Br)O)Br
InChI
InChI=1S/C16H13Br3N2O3/c1-9-2-4-10(5-3-9)24-8-14(22)21-20-7-11-12(17)6-13(18)16(23)15(11)19/h2-7,23H,8H2,1H3,(H,21,22)/b20-7-
InChIKey
ZFQCCGDBDPSZEM-SCDVKCJHSA-N
Compound name
2-(4-methylphenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.84766 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.85494 170.3
[M+Na]+ 540.83688 175.6
[M-H]- 516.84038 176.6
[M+NH4]+ 535.88148 180.4
[M+K]+ 556.81082 159.8
[M+H-H2O]+ 500.84492 181.6
[M+HCOO]- 562.84586 180.2
[M+CH3COO]- 576.86151 238.4
[M+Na-2H]- 538.82233 172.1
[M]+ 517.84711 211.2
[M]- 517.84821 211.2
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.