CID 557625

2533-67-7

Structural Information

Molecular Formula

C₂H₃Cl₃N₂O

SMILES

C(=NO)(C(Cl)(Cl)Cl)N

InChI

InChI=1S/C2H3Cl3N2O/c3-2(4,5)1(6)7-8/h8H,(H2,6,7)

InChIKey

JZGHJJWDRRFOKV-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N'-hydroxyethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 175.93109 Da
Monoisotopic Mass: 1.3
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]+	176.938366	131.4
[M+Na]+	198.920308	140.0
[M-H]-	174.923814	130.3
[M+NH4]+	193.964913	151.8
[M+K]+	214.894248	135.9
[M+H-H2O]+	158.928350	130.0
[M+HCOO]-	220.929291	140.7
[M+CH3COO]-	234.944941	179.5
[M+Na-2H]-	196.905756	136.6
[M]+	175.93054142	130.5
[M]-	175.93163858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe