CID 151936

4-(methylsulfinyl)phenol

Structural Information

Molecular Formula
C7H8O2S
SMILES
CS(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey
ZCQSJUGIZGMDDA-UHFFFAOYSA-N
Compound name
4-methylsulfinylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

122
Patents

156.0245 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.03178 127.5
[M+Na]+ 179.01372 136.3
[M-H]- 155.01722 130.6
[M+NH4]+ 174.05832 148.6
[M+K]+ 194.98766 133.8
[M+H-H2O]+ 139.02176 122.6
[M+HCOO]- 201.02270 145.5
[M+CH3COO]- 215.03835 171.7
[M+Na-2H]- 176.99917 131.1
[M]+ 156.02395 128.9
[M]- 156.02505 128.9
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