CID 2773889

4-bromophenyl methanesulfonate

Structural Information

Molecular Formula
C7H7BrO3S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
PJWZKEHXEQWESI-UHFFFAOYSA-N
Compound name
(4-bromophenyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

249.92993 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93721 133.5
[M+Na]+ 272.91915 146.9
[M-H]- 248.92265 140.7
[M+NH4]+ 267.96375 155.2
[M+K]+ 288.89309 135.9
[M+H-H2O]+ 232.92719 134.4
[M+HCOO]- 294.92813 150.9
[M+CH3COO]- 308.94378 185.4
[M+Na-2H]- 270.90460 141.3
[M]+ 249.92938 156.0
[M]- 249.93048 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe