CID 61295774

1-(3-bromopropanesulfonyl)-2-methoxybenzene

Structural Information

Molecular Formula
C10H13BrO3S
SMILES
COC1=CC=CC=C1S(=O)(=O)CCCBr
InChI
InChI=1S/C10H13BrO3S/c1-14-9-5-2-3-6-10(9)15(12,13)8-4-7-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey
WYXVEFHOBLSYAK-UHFFFAOYSA-N
Compound name
1-(3-bromopropylsulfonyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.97687 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98415 147.0
[M+Na]+ 314.96609 159.2
[M-H]- 290.96959 153.7
[M+NH4]+ 310.01069 167.2
[M+K]+ 330.94003 147.5
[M+H-H2O]+ 274.97413 147.3
[M+HCOO]- 336.97507 163.5
[M+CH3COO]- 350.99072 193.8
[M+Na-2H]- 312.95154 153.4
[M]+ 291.97632 170.6
[M]- 291.97742 170.6
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

No patent data available for this compound.