CID 84989

3-methoxybenzenethiol

Structural Information

Molecular Formula
C7H8OS
SMILES
COC1=CC(=CC=C1)S
InChI
InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChIKey
QMVAZEHZOPDGHA-UHFFFAOYSA-N
Compound name
3-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4771
Patents

140.02959 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03687 123.6
[M+Na]+ 163.01881 133.1
[M-H]- 139.02231 128.2
[M+NH4]+ 158.06341 146.3
[M+K]+ 178.99275 131.3
[M+H-H2O]+ 123.02685 118.6
[M+HCOO]- 185.02779 143.8
[M+CH3COO]- 199.04344 172.4
[M+Na-2H]- 161.00426 128.8
[M]+ 140.02904 126.8
[M]- 140.03014 126.8
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

No patent data available for this compound.