CID 43381752

Ethyl 3-bromo-5-(chlorosulfonyl)-4-methoxybenzoate

Structural Information

Molecular Formula
C10H10BrClO5S
SMILES
CCOC(=O)C1=CC(=C(C(=C1)Br)OC)S(=O)(=O)Cl
InChI
InChI=1S/C10H10BrClO5S/c1-3-17-10(13)6-4-7(11)9(16-2)8(5-6)18(12,14)15/h4-5H,3H2,1-2H3
InChIKey
OUNCQJNECXLVNL-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-5-chlorosulfonyl-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.91208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.91936 154.3
[M+Na]+ 378.90130 157.0
[M+NH4]+ 373.94590 157.4
[M+K]+ 394.87524 157.4
[M-H]- 354.90480 152.6
[M+Na-2H]- 376.88675 156.0
[M]+ 355.91153 153.6
[M]- 355.91263 153.6
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.