CID 11580276

(4-chlorophenyl)-(3,5-dimethylbenzofuran-2-yl)methanone oxime

Structural Information

Molecular Formula
C17H14ClNO2
SMILES
CC1=CC2=C(C=C1)OC(=C2C)/C(=N/O)/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14ClNO2/c1-10-3-8-15-14(9-10)11(2)17(21-15)16(19-20)12-4-6-13(18)7-5-12/h3-9,20H,1-2H3/b19-16+
InChIKey
JLZJCCFRXFVJHW-KNTRCKAVSA-N
Compound name
(NE)-N-[(4-chlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.07132 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07860 168.7
[M+Na]+ 322.06054 180.1
[M-H]- 298.06404 178.2
[M+NH4]+ 317.10514 186.6
[M+K]+ 338.03448 175.0
[M+H-H2O]+ 282.06858 162.5
[M+HCOO]- 344.06952 189.1
[M+CH3COO]- 358.08517 182.2
[M+Na-2H]- 320.04599 172.9
[M]+ 299.07077 175.1
[M]- 299.07187 175.1
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.