CID 22171140

Schembl4803585

Structural Information

Molecular Formula
C9H7FOS
SMILES
COC1=C2C=CSC2=C(C=C1)F
InChI
InChI=1S/C9H7FOS/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1H3
InChIKey
UWORMZGQZQTGNZ-UHFFFAOYSA-N
Compound name
7-fluoro-4-methoxy-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

182.02016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02744 131.1
[M+Na]+ 205.00938 143.5
[M-H]- 181.01288 136.0
[M+NH4]+ 200.05398 155.4
[M+K]+ 220.98332 140.2
[M+H-H2O]+ 165.01742 125.8
[M+HCOO]- 227.01836 152.0
[M+CH3COO]- 241.03401 146.7
[M+Na-2H]- 202.99483 135.9
[M]+ 182.01961 135.8
[M]- 182.02071 135.8
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

patents stripe