CID 10887850

1524-26-1

Structural Information

Molecular Formula

C₄H₅F₃

SMILES

C=CCC(F)(F)F

InChI

InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2H,1,3H2

InChIKey

WCNKHTIPPVQEQW-UHFFFAOYSA-N

Compound name

4,4,4-trifluorobut-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1813
Patents: 110.03433 Da
Monoisotopic Mass: 2.4
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	114.9
[M+Na]+	133.02355	123.9
[M-H]-	109.02705	111.8
[M+NH4]+	128.06815	137.9
[M+K]+	148.99749	122.9
[M+H-H2O]+	93.031590	109.0
[M+HCOO]-	155.03253	134.9
[M+CH3COO]-	169.04818	168.3
[M+Na-2H]-	131.00900	122.1
[M]+	110.03378	110.4
[M]-	110.03488	110.4

Literature stripe

literature stripe

Patent stripe

patents stripe