CID 316170

Phenyl methanesulfonate

Structural Information

Molecular Formula
C7H8O3S
SMILES
CS(=O)(=O)OC1=CC=CC=C1
InChI
InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
WXVUCMFEGJUVTN-UHFFFAOYSA-N
Compound name
phenyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1456
Patents

172.01941 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 133.3
[M+Na]+ 195.00863 145.3
[M+NH4]+ 190.05323 141.6
[M+K]+ 210.98257 138.2
[M-H]- 171.01213 134.3
[M+Na-2H]- 192.99408 139.8
[M]+ 172.01886 135.7
[M]- 172.01996 135.7
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