CID 11550972

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

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)/C(=N/O)/C3=CC=CC=C3
InChI
InChI=1S/C16H12ClNO2/c1-10-13-9-12(17)7-8-14(13)20-16(10)15(18-19)11-5-3-2-4-6-11/h2-9,19H,1H3/b18-15+
InChIKey
ORZFSJFUEQWSNH-OBGWFSINSA-N
Compound name
(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.05566 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 163.8
[M+Na]+ 308.04488 174.7
[M-H]- 284.04838 173.0
[M+NH4]+ 303.08948 182.0
[M+K]+ 324.01882 169.8
[M+H-H2O]+ 268.05292 157.6
[M+HCOO]- 330.05386 184.6
[M+CH3COO]- 344.06951 177.4
[M+Na-2H]- 306.03033 169.3
[M]+ 285.05511 169.5
[M]- 285.05621 169.5
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.