CID 11961370

762240-99-3

Structural Information

Molecular Formula

C₄H₄ClF₃N₂O₂

SMILES

C(C(=O)NNC(=O)C(F)(F)F)Cl

InChI

InChI=1S/C4H4ClF3N2O2/c5-1-2(11)9-10-3(12)4(6,7)8/h1H2,(H,9,11)(H,10,12)

InChIKey

DYKIVKLXFDNBMY-UHFFFAOYSA-N

Compound name

N'-(2-chloroacetyl)-2,2,2-trifluoroacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 203.99133 Da
Monoisotopic Mass: 0.8
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]+	204.99861	133.5
[M+Na]+	226.98055	141.5
[M-H]-	202.98405	130.3
[M+NH4]+	222.02515	152.7
[M+K]+	242.95449	139.2
[M+H-H2O]+	186.98859	127.2
[M+HCOO]-	248.98953	149.8
[M+CH3COO]-	263.00518	184.4
[M+Na-2H]-	224.96600	138.2
[M]+	203.99078	130.0
[M]-	203.99188	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe