CID 88544

Benzene, (ethenylsulfinyl)-

Structural Information

Molecular Formula
C8H8OS
SMILES
C=CS(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2
InChIKey
MZMJHXFYLRTLQX-UHFFFAOYSA-N
Compound name
ethenylsulfinylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

900
Patents

152.02959 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 127.6
[M+Na]+ 175.01881 136.0
[M-H]- 151.02231 131.7
[M+NH4]+ 170.06341 149.3
[M+K]+ 190.99275 133.2
[M+H-H2O]+ 135.02685 122.3
[M+HCOO]- 197.02779 146.8
[M+CH3COO]- 211.04344 173.4
[M+Na-2H]- 173.00426 131.8
[M]+ 152.02904 128.8
[M]- 152.03014 128.8
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