CID 136214

2-(trifluoromethyl)propene

Structural Information

Molecular Formula

C₄H₅F₃

SMILES

CC(=C)C(F)(F)F

InChI

InChI=1S/C4H5F3/c1-3(2)4(5,6)7/h1H2,2H3

InChIKey

VJOAJCOCCYFXPR-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-2-methylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 717
Patents: 110.03433 Da
Monoisotopic Mass: 2.6
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]+	111.04161	114.7
[M+Na]+	133.02355	123.5
[M-H]-	109.02705	111.8
[M+NH4]+	128.06815	137.7
[M+K]+	148.99749	123.0
[M+H-H2O]+	93.031590	108.9
[M+HCOO]-	155.03253	133.7
[M+CH3COO]-	169.04818	169.1
[M+Na-2H]-	131.00900	120.7
[M]+	110.03378	109.6
[M]-	110.03488	109.6

Literature stripe

literature stripe

Patent stripe

patents stripe