CID 2759007

3-fluoro-4-methoxythiophenol

Structural Information

Molecular Formula
C7H7FOS
SMILES
COC1=C(C=C(C=C1)S)F
InChI
InChI=1S/C7H7FOS/c1-9-7-3-2-5(10)4-6(7)8/h2-4,10H,1H3
InChIKey
DBEUVLFLTXYXJF-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

158.02016 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02744 125.2
[M+Na]+ 181.00938 135.5
[M-H]- 157.01288 128.7
[M+NH4]+ 176.05398 147.3
[M+K]+ 196.98332 133.3
[M+H-H2O]+ 141.01742 119.3
[M+HCOO]- 203.01836 144.3
[M+CH3COO]- 217.03401 176.2
[M+Na-2H]- 178.99483 129.2
[M]+ 158.01961 127.7
[M]- 158.02071 127.7
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