CID 18687756

3-fluoro-2-sulfanylphenol

Structural Information

Molecular Formula
C6H5FOS
SMILES
C1=CC(=C(C(=C1)F)S)O
InChI
InChI=1S/C6H5FOS/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey
FXQVRQBTPYSZHG-UHFFFAOYSA-N
Compound name
3-fluoro-2-sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

144.00452 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01180 121.2
[M+Na]+ 166.99374 131.4
[M-H]- 142.99724 123.3
[M+NH4]+ 162.03834 143.1
[M+K]+ 182.96768 128.5
[M+H-H2O]+ 127.00178 115.8
[M+HCOO]- 189.00272 139.1
[M+CH3COO]- 203.01837 170.5
[M+Na-2H]- 164.97919 125.2
[M]+ 144.00397 121.4
[M]- 144.00507 121.4
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