CID 60768285

1-bromo-4-(2-methanesulfonylethoxy)benzene

Structural Information

Molecular Formula
C9H11BrO3S
SMILES
CS(=O)(=O)CCOC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11BrO3S/c1-14(11,12)7-6-13-9-4-2-8(10)3-5-9/h2-5H,6-7H2,1H3
InChIKey
FNJNFFAPVJBJFO-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-methylsulfonylethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

277.96124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96852 142.5
[M+Na]+ 300.95046 155.1
[M-H]- 276.95396 149.4
[M+NH4]+ 295.99506 163.2
[M+K]+ 316.92440 143.7
[M+H-H2O]+ 260.95850 143.1
[M+HCOO]- 322.95944 159.3
[M+CH3COO]- 336.97509 191.0
[M+Na-2H]- 298.93591 149.4
[M]+ 277.96069 165.8
[M]- 277.96179 165.8
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