CID 122407

2-(ethylthio)phenol

Structural Information

Molecular Formula
C8H10OS
SMILES
CCSC1=CC=CC=C1O
InChI
InChI=1S/C8H10OS/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChIKey
CSJBSYKCAKKLKG-UHFFFAOYSA-N
Compound name
2-ethylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

274
Patents

154.04524 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 128.7
[M+Na]+ 177.034458 137.2
[M-H]- 153.037964 131.6
[M+NH4]+ 172.079063 150.0
[M+K]+ 193.008398 134.2
[M+H-H2O]+ 137.042500 123.7
[M+HCOO]- 199.043441 147.0
[M+CH3COO]- 213.059091 172.7
[M+Na-2H]- 175.019906 132.9
[M]+ 154.04469142 130.4
[M]- 154.04578858 130.4
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