CID 63202941

1-(2-bromopropyl)-2-(trifluoromethyl)-benzene

Structural Information

Molecular Formula

C₁₀H₁₀BrF₃

SMILES

CC(CC1=CC=CC=C1C(F)(F)F)Br

InChI

InChI=1S/C10H10BrF3/c1-7(11)6-8-4-2-3-5-9(8)10(12,13)14/h2-5,7H,6H2,1H3

InChIKey

IFGNWZNDTMKVSF-UHFFFAOYSA-N

Compound name

1-(2-bromopropyl)-2-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 265.9918 Da
Monoisotopic Mass: 4.3
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]+	266.99908	158.9
[M+Na]+	288.98102	160.3
[M+NH4]+	284.02562	162.0
[M+K]+	304.95496	159.5
[M-H]-	264.98452	155.7
[M+Na-2H]-	286.96647	160.2
[M]+	265.99125	157.0
[M]-	265.99235	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe