CID 2775704

392-41-6

Structural Information

Molecular Formula

C₄H₃F₃O₂

SMILES

COC(=O)C(=C(F)F)F

InChI

InChI=1S/C4H3F3O2/c1-9-4(8)2(5)3(6)7/h1H3

InChIKey

LOYYAPWQNHOYQA-UHFFFAOYSA-N

Compound name

methyl 2,3,3-trifluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 176
Patents: 140.00851 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]+	141.015786	120.3
[M+Na]+	162.997728	128.5
[M-H]-	139.001234	117.1
[M+NH4]+	158.042333	141.7
[M+K]+	178.971668	128.7
[M+H-H2O]+	123.005770	113.6
[M+HCOO]-	185.006711	139.6
[M+CH3COO]-	199.022361	172.8
[M+Na-2H]-	160.983176	123.1
[M]+	140.00796142	116.6
[M]-	140.00905858	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe