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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.90331 133.5
[M+Na]+ 290.88525 147.9
[M-H]- 266.88875 141.0
[M+NH4]+ 285.92985 155.7
[M+K]+ 306.85919 135.3
[M+H-H2O]+ 250.89329 135.4
[M+HCOO]- 312.89423 146.7
[M+CH3COO]- 326.90988 189.4
[M+Na-2H]- 288.87070 138.9
[M]+ 267.89548 157.4
[M]- 267.89658 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe