CID 3468030

Chloromethyl trifluoromethyl sulfide

Structural Information

Molecular Formula

C₂H₂ClF₃S

SMILES

C(SC(F)(F)F)Cl

InChI

InChI=1S/C2H2ClF3S/c3-1-7-2(4,5)6/h1H2

InChIKey

CQQRPMWQQUKPMR-UHFFFAOYSA-N

Compound name

chloromethylsulfanyl(trifluoro)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 149.95178 Da
Monoisotopic Mass: 2.8
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]+	150.95906	116.9
[M+Na]+	172.94100	126.8
[M-H]-	148.94450	114.1
[M+NH4]+	167.98560	139.6
[M+K]+	188.91494	124.0
[M+H-H2O]+	132.94904	111.6
[M+HCOO]-	194.94998	127.4
[M+CH3COO]-	208.96563	171.1
[M+Na-2H]-	170.92645	121.0
[M]+	149.95123	116.2
[M]-	149.95233	116.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe