CID 11659744

(5-chloro-3-methyl-benzofuran-2-yl)-(4-chlorophenyl)methanone oxime

Structural Information

Molecular Formula
C16H11Cl2NO2
SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)/C(=N/O)/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11Cl2NO2/c1-9-13-8-12(18)6-7-14(13)21-16(9)15(19-20)10-2-4-11(17)5-3-10/h2-8,20H,1H3/b19-15+
InChIKey
JKWPBHOVPKRNAA-XDJHFCHBSA-N
Compound name
(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0167 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02398 171.4
[M+Na]+ 342.00592 183.6
[M-H]- 318.00942 180.1
[M+NH4]+ 337.05052 188.9
[M+K]+ 357.97986 177.5
[M+H-H2O]+ 302.01396 165.9
[M+HCOO]- 364.01490 186.9
[M+CH3COO]- 378.03055 184.4
[M+Na-2H]- 339.99137 175.2
[M]+ 319.01615 178.8
[M]- 319.01725 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.