CID 2759008

84884-41-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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

literature stripe

Patent stripe

patents stripe