CID 520841

Bis(trifluoromethyl)amine

Structural Information

Molecular Formula

SMILES

C(NC(F)(F)F)(F)(F)F

InChI

InChI=1S/C2HF6N/c3-1(4,5)9-2(6,7)8/h9H

InChIKey

ZGLLUEAYLAHJKB-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-N-(trifluoromethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1923
Patents: 153.00131 Da
Monoisotopic Mass: 2.2
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]+	154.00859	119.3
[M+Na]+	175.99053	128.5
[M-H]-	151.99403	112.7
[M+NH4]+	171.03513	139.9
[M+K]+	191.96447	127.6
[M+H-H2O]+	135.99857	110.8
[M+HCOO]-	197.99951	135.8
[M+CH3COO]-	212.01516	176.6
[M+Na-2H]-	173.97598	126.4
[M]+	153.00076	109.2
[M]-	153.00186	109.2

Literature stripe

literature stripe

Patent stripe

patents stripe