CID 35608

Trichloroethanimidamide hydrochloride

Structural Information

Molecular Formula

C₂H₃Cl₃N₂

SMILES

C(=N)(C(Cl)(Cl)Cl)N

InChI

InChI=1S/C2H3Cl3N2/c3-2(4,5)1(6)7/h(H3,6,7)

InChIKey

FJKHRICFMSYVFL-UHFFFAOYSA-N

Compound name

2,2,2-trichloroethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 131
Patents: 159.93619 Da
Monoisotopic Mass: 1.1
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]+	160.94347	129.3
[M+Na]+	182.92541	137.8
[M-H]-	158.92891	128.0
[M+NH4]+	177.97001	150.2
[M+K]+	198.89935	133.2
[M+H-H2O]+	142.93345	127.9
[M+HCOO]-	204.93439	138.3
[M+CH3COO]-	218.95004	178.2
[M+Na-2H]-	180.91086	134.3
[M]+	159.93564	127.0
[M]-	159.93674	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe