CID 88541107

N,n-bis(2,2,2-trifluoroethyl)carbamoyl chloride

Structural Information

Molecular Formula

C₅H₄ClF₆NO

SMILES

C(C(F)(F)F)N(CC(F)(F)F)C(=O)Cl

InChI

InChI=1S/C5H4ClF6NO/c6-3(14)13(1-4(7,8)9)2-5(10,11)12/h1-2H2

InChIKey

PMOHCPXREIEFHF-UHFFFAOYSA-N

Compound name

N,N-bis(2,2,2-trifluoroethyl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.98856 Da
Monoisotopic Mass: 3.0
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]+	243.99584	137.8
[M+Na]+	265.97778	146.9
[M-H]-	241.98128	132.2
[M+NH4]+	261.02238	156.3
[M+K]+	281.95172	144.6
[M+H-H2O]+	225.98582	129.4
[M+HCOO]-	287.98676	149.1
[M+CH3COO]-	302.00241	193.9
[M+Na-2H]-	263.96323	141.4
[M]+	242.98801	132.2
[M]-	242.98911	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe