CID 9568570

Brn 4246111

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

C1=CC=C(C(=C1)/C=N/NC=O)Cl

InChI

InChI=1S/C8H7ClN2O/c9-8-4-2-1-3-7(8)5-10-11-6-12/h1-6H,(H,11,12)/b10-5+

InChIKey

FVPHAIQPSYMHFH-BJMVGYQFSA-N

Compound name

N-[(E)-(2-chlorophenyl)methylideneamino]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.02469 Da
Monoisotopic Mass: 1.8
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]+	183.03197	134.8
[M+Na]+	205.01391	143.7
[M-H]-	181.01741	139.9
[M+NH4]+	200.05851	155.8
[M+K]+	220.98785	140.1
[M+H-H2O]+	165.02195	129.3
[M+HCOO]-	227.02289	159.3
[M+CH3COO]-	241.03854	185.2
[M+Na-2H]-	202.99936	143.3
[M]+	182.02414	137.0
[M]-	182.02524	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe