CID 3626359

582306-90-9

Structural Information

Molecular Formula

C₇H₆ClFN₂

SMILES

C1=CC(=C(C=C1F)Cl)C(=N)N

InChI

InChI=1S/C7H6ClFN2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H3,10,11)

InChIKey

KESVNOXPDZLHGZ-UHFFFAOYSA-N

Compound name

2-chloro-4-fluorobenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 172.02036 Da
Monoisotopic Mass: 1.6
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]+	173.027636	131.4
[M+Na]+	195.009578	140.7
[M-H]-	171.013084	133.8
[M+NH4]+	190.054183	152.0
[M+K]+	210.983518	136.2
[M+H-H2O]+	155.017620	126.0
[M+HCOO]-	217.018561	151.6
[M+CH3COO]-	231.034211	183.1
[M+Na-2H]-	192.995026	136.3
[M]+	172.01981142	128.4
[M]-	172.02090858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe