CID 155820878

2490404-45-8

Structural Information

Molecular Formula
C10H12BrClO2S
SMILES
CC(C)CC1=C(C=C(C=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C10H12BrClO2S/c1-7(2)5-8-3-4-9(11)6-10(8)15(12,13)14/h3-4,6-7H,5H2,1-2H3
InChIKey
SECNIOYQQRAKKK-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.95028 147.5
[M+Na]+ 332.93222 161.2
[M-H]- 308.93572 154.8
[M+NH4]+ 327.97682 168.2
[M+K]+ 348.90616 147.7
[M+H-H2O]+ 292.94026 149.2
[M+HCOO]- 354.94120 158.4
[M+CH3COO]- 368.95685 197.3
[M+Na-2H]- 330.91767 152.0
[M]+ 309.94245 171.3
[M]- 309.94355 171.3
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.