CID 2736350

3-ethoxybenzenethiol

Structural Information

Molecular Formula
C8H10OS
SMILES
CCOC1=CC(=CC=C1)S
InChI
InChI=1S/C8H10OS/c1-2-9-7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChIKey
RTJMJGJLVSKSEB-UHFFFAOYSA-N
Compound name
3-ethoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

154.04524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 128.2
[M+Na]+ 177.034458 137.2
[M-H]- 153.037964 132.6
[M+NH4]+ 172.079063 150.3
[M+K]+ 193.008398 135.2
[M+H-H2O]+ 137.042500 122.9
[M+HCOO]- 199.043441 148.1
[M+CH3COO]- 213.059091 175.4
[M+Na-2H]- 175.019906 132.9
[M]+ 154.04469142 131.7
[M]- 154.04578858 131.7
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