CID 100649

Brn 0669565

Structural Information

Molecular Formula

C₁₁H₉ClN₄O₂

SMILES

COC1=CC(=C(C=C1NN=C(C#N)C#N)OC)Cl

InChI

InChI=1S/C11H9ClN4O2/c1-17-10-4-9(11(18-2)3-8(10)12)16-15-7(5-13)6-14/h3-4,16H,1-2H3

InChIKey

YTCUQJFPFHHJSC-UHFFFAOYSA-N

Compound name

2-[(4-chloro-2,5-dimethoxyphenyl)hydrazinylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.0414 Da
Monoisotopic Mass: 3.3
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]+	265.048676	165.2
[M+Na]+	287.030618	175.2
[M-H]-	263.034124	169.4
[M+NH4]+	282.075223	176.8
[M+K]+	303.004558	172.1
[M+H-H2O]+	247.038660	150.2
[M+HCOO]-	309.039601	177.0
[M+CH3COO]-	323.055251	228.1
[M+Na-2H]-	285.016066	166.4
[M]+	264.04085142	160.3
[M]-	264.04194858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.