CID 126970905

5-bromo-2-methoxybenzene-1-sulfinyl chloride

Structural Information

Molecular Formula

C₇H₆BrClO₂S

SMILES

COC1=C(C=C(C=C1)Br)S(=O)Cl

InChI

InChI=1S/C7H6BrClO2S/c1-11-6-3-2-5(8)4-7(6)12(9)10/h2-4H,1H3

InChIKey

JOXYXLMWNFMAQW-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxybenzenesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.89603 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]+	268.903306	133.5
[M+Na]+	290.885248	147.9
[M-H]-	266.888754	141.0
[M+NH4]+	285.929853	155.7
[M+K]+	306.859188	135.3
[M+H-H2O]+	250.893290	135.4
[M+HCOO]-	312.894231	146.7
[M+CH3COO]-	326.909881	189.4
[M+Na-2H]-	288.870696	138.9
[M]+	267.89548142	157.4
[M]-	267.89657858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe