CID 12780693

83015-33-2

Structural Information

Molecular Formula

C₈H₅BrF₄S

SMILES

C1=CC=C(C=C1)SC(C(F)(F)Br)(F)F

InChI

InChI=1S/C8H5BrF4S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H

InChIKey

ACKRNLPIVVTRML-UHFFFAOYSA-N

Compound name

(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 287.92316 Da
Monoisotopic Mass: 4.7
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]+	288.93044	156.5
[M+Na]+	310.91238	156.9
[M+NH4]+	305.95698	159.3
[M+K]+	326.88632	155.4
[M-H]-	286.91588	152.1
[M+Na-2H]-	308.89783	157.6
[M]+	287.92261	154.6
[M]-	287.92371	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe