CID 603881

2-[(phenylsulfonyl)methyl]benzyl bromide

Structural Information

Molecular Formula
C14H13BrO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2CBr
InChI
InChI=1S/C14H13BrO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,10-11H2
InChIKey
SYNKYJKCQBVGSL-UHFFFAOYSA-N
Compound name
1-(benzenesulfonylmethyl)-2-(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

323.98196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.98924 156.5
[M+Na]+ 346.97118 168.4
[M-H]- 322.97468 166.0
[M+NH4]+ 342.01578 175.2
[M+K]+ 362.94512 155.7
[M+H-H2O]+ 306.97922 156.4
[M+HCOO]- 368.98016 173.1
[M+CH3COO]- 382.99581 199.1
[M+Na-2H]- 344.95663 163.2
[M]+ 323.98141 177.8
[M]- 323.98251 177.8
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