CID 121208211

3-(bromomethyl)-1,1,1-trifluoropentane

Structural Information

Molecular Formula

C₆H₁₀BrF₃

SMILES

CCC(CC(F)(F)F)CBr

InChI

InChI=1S/C6H10BrF3/c1-2-5(4-7)3-6(8,9)10/h5H,2-4H2,1H3

InChIKey

KTLFCSMILQMXSX-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-1,1,1-trifluoropentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.9918 Da
Monoisotopic Mass: 3.6
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]+	218.999076	142.5
[M+Na]+	240.981018	153.6
[M-H]-	216.984524	142.0
[M+NH4]+	236.025623	164.6
[M+K]+	256.954958	143.0
[M+H-H2O]+	200.989060	141.3
[M+HCOO]-	262.990001	158.3
[M+CH3COO]-	277.005651	186.5
[M+Na-2H]-	238.966466	147.8
[M]+	217.99125142	157.2
[M]-	217.99234858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.