CID 18521377

3-methanesulfinylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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

No literature data available for this compound.

Patent stripe

patents stripe