CID 12672

3,3,3-trifluoropropene

Structural Information

Molecular Formula

C₃H₃F₃

SMILES

C=CC(F)(F)F

InChI

InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2

InChIKey

FDMFUZHCIRHGRG-UHFFFAOYSA-N

Compound name

3,3,3-trifluoroprop-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 12
References: 21998
Patents: 96.018684 Da
Monoisotopic Mass: 2.0
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]+	97.025960	110.1
[M+Na]+	119.00790	119.5
[M-H]-	95.011408	107.2
[M+NH4]+	114.05251	133.7
[M+K]+	134.98184	118.8
[M+H-H2O]+	79.015944	104.5
[M+HCOO]-	141.01688	130.4
[M+CH3COO]-	155.03254	165.3
[M+Na-2H]-	116.99335	117.9
[M]+	96.018135	105.3
[M]-	96.019233	105.3

Literature stripe

literature stripe

Patent stripe

patents stripe