CID 155820137

2567496-68-6

Structural Information

Molecular Formula
C9H10BrClO3S
SMILES
CC1=CC(=C(C(=C1Br)C)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H10BrClO3S/c1-5-4-7(14-3)9(15(11,12)13)6(2)8(5)10/h4H,1-3H3
InChIKey
AQSYLYATJCGIBU-UHFFFAOYSA-N
Compound name
3-bromo-6-methoxy-2,4-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.92227 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.92955 144.2
[M+Na]+ 334.91149 159.9
[M-H]- 310.91499 152.2
[M+NH4]+ 329.95609 165.3
[M+K]+ 350.88543 146.8
[M+H-H2O]+ 294.91953 146.1
[M+HCOO]- 356.92047 156.5
[M+CH3COO]- 370.93612 197.9
[M+Na-2H]- 332.89694 149.3
[M]+ 311.92172 170.2
[M]- 311.92282 170.2
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.