CID 132354109

Ethyl 5-bromo-4-(chlorosulfonyl)-2-methylbenzoate

Structural Information

Molecular Formula
C10H10BrClO4S
SMILES
CCOC(=O)C1=CC(=C(C=C1C)S(=O)(=O)Cl)Br
InChI
InChI=1S/C10H10BrClO4S/c1-3-16-10(13)7-5-8(11)9(4-6(7)2)17(12,14)15/h4-5H,3H2,1-2H3
InChIKey
BIKFKEAAWKPYAH-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-4-chlorosulfonyl-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.91718 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.92446 151.3
[M+Na]+ 362.90640 154.5
[M+NH4]+ 357.95100 155.0
[M+K]+ 378.88034 154.4
[M-H]- 338.90990 150.1
[M+Na-2H]- 360.89185 153.5
[M]+ 339.91663 150.9
[M]- 339.91773 150.9
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.