CID 2303923

1-[4-(bromomethyl)benzenesulfonyl]-4-methylbenzene

Structural Information

Molecular Formula
C14H13BrO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C14H13BrO2S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-9H,10H2,1H3
InChIKey
NIJUFNRIEGWRMV-UHFFFAOYSA-N
Compound name
1-[4-(bromomethyl)phenyl]sulfonyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

323.98196 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.98924 150.1
[M+Na]+ 346.97118 155.3
[M+NH4]+ 342.01578 155.4
[M+K]+ 362.94512 153.1
[M-H]- 322.97468 152.6
[M+Na-2H]- 344.95663 156.5
[M]+ 323.98141 151.0
[M]- 323.98251 151.0
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