CID 6373

Trifluoromethane

Structural Information

Molecular Formula

SMILES

C(F)(F)F

InChI

InChI=1S/CHF3/c2-1(3)4/h1H

InChIKey

XPDWGBQVDMORPB-UHFFFAOYSA-N

Compound name

fluoroform

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 730
References: 255433
Patents: 70.00304 Da
Monoisotopic Mass: 1.5
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]+	71.010316	102.5
[M+Na]+	92.992258	111.5
[M-H]-	68.995764	99.6
[M+NH4]+	88.036863	126.8
[M+K]+	108.96620	112.1
[M+H-H2O]+	53.000300	96.5
[M+HCOO]-	115.00124	123.7
[M+CH3COO]-	129.01689	161.5
[M+Na-2H]-	90.977706	109.5
[M]+	70.002491	97.5
[M]-	70.003589	97.5

Literature stripe

literature stripe

Patent stripe

patents stripe