CID 21712718

2-bromo-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula

C₄H₅BrF₃NO

SMILES

C(C(=O)NCC(F)(F)F)Br

InChI

InChI=1S/C4H5BrF3NO/c5-1-3(10)9-2-4(6,7)8/h1-2H2,(H,9,10)

InChIKey

PLZAMEHPWIQVJS-UHFFFAOYSA-N

Compound name

2-bromo-N-(2,2,2-trifluoroethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 218.95065 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]+	219.95793	137.9
[M+Na]+	241.93987	149.1
[M-H]-	217.94337	137.5
[M+NH4]+	236.98447	159.5
[M+K]+	257.91381	138.4
[M+H-H2O]+	201.94791	135.9
[M+HCOO]-	263.94885	155.6
[M+CH3COO]-	277.96450	185.4
[M+Na-2H]-	239.92532	144.3
[M]+	218.95010	151.6
[M]-	218.95120	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe