CID 6305585

152642-35-8

Structural Information

Molecular Formula

C₁₆H₁₃Cl₂NO

SMILES

C1C/C(=N\O)/C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2NO/c17-14-7-5-10(9-15(14)18)11-6-8-16(19-20)13-4-2-1-3-12(11)13/h1-5,7,9,11,20H,6,8H2/b19-16+

InChIKey

CGIUOCJZIYTDRG-KNTRCKAVSA-N

Compound name

(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 305.0374 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.044676	166.6
[M+Na]+	328.026618	176.2
[M-H]-	304.030124	173.3
[M+NH4]+	323.071223	184.0
[M+K]+	344.000558	168.7
[M+H-H2O]+	288.034660	160.5
[M+HCOO]-	350.035601	179.0
[M+CH3COO]-	364.051251	178.1
[M+Na-2H]-	326.012066	170.8
[M]+	305.03685142	167.6
[M]-	305.03794858	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe