CID 13621611

126007-98-5

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

COC1=C(C=C(C=C1)C(=N)N)Cl

InChI

InChI=1S/C8H9ClN2O/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H3,10,11)

InChIKey

FZVNMQOQWGTTRN-UHFFFAOYSA-N

Compound name

3-chloro-4-methoxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 184.04034 Da
Monoisotopic Mass: 1.7
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]+	185.04762	136.0
[M+Na]+	207.02956	148.1
[M+NH4]+	202.07416	144.5
[M+K]+	223.00350	142.1
[M-H]-	183.03306	138.9
[M+Na-2H]-	205.01501	142.6
[M]+	184.03979	138.7
[M]-	184.04089	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe