CID 3249363

2-bromoethyl 4-methylbenzenesulfonate

Structural Information

Molecular Formula
C9H11BrO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCBr
InChI
InChI=1S/C9H11BrO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChIKey
LTMNMMFAYJZNTC-UHFFFAOYSA-N
Compound name
2-bromoethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

277.96124 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96852 140.0
[M+Na]+ 300.95046 142.7
[M+NH4]+ 295.99506 144.4
[M+K]+ 316.92440 142.2
[M-H]- 276.95396 139.6
[M+Na-2H]- 298.93591 143.4
[M]+ 277.96069 139.5
[M]- 277.96179 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe