CID 13950732

4-bromo-2,3,5,6-tetramethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C10H12BrClO2S
SMILES
CC1=C(C(=C(C(=C1S(=O)(=O)Cl)C)C)Br)C
InChI
InChI=1S/C10H12BrClO2S/c1-5-7(3)10(15(12,13)14)8(4)6(2)9(5)11/h1-4H3
InChIKey
XBXOGPYMSRFYCK-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetramethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.95028 144.7
[M+Na]+ 332.93222 160.9
[M-H]- 308.93572 152.8
[M+NH4]+ 327.97682 166.1
[M+K]+ 348.90616 147.1
[M+H-H2O]+ 292.94026 146.7
[M+HCOO]- 354.94120 156.4
[M+CH3COO]- 368.95685 199.9
[M+Na-2H]- 330.91767 148.5
[M]+ 309.94245 169.9
[M]- 309.94355 169.9
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

patents stripe