CID 53396439

(4-fluoro-1-benzothiophen-2-yl)methanol

Structural Information

Molecular Formula
C9H7FOS
SMILES
C1=CC(=C2C=C(SC2=C1)CO)F
InChI
InChI=1S/C9H7FOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2
InChIKey
VRHVHHZXYVVURV-UHFFFAOYSA-N
Compound name
(4-fluoro-1-benzothiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

182.02016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02744 131.2
[M+Na]+ 205.00938 143.1
[M-H]- 181.01288 134.7
[M+NH4]+ 200.05398 154.8
[M+K]+ 220.98332 138.9
[M+H-H2O]+ 165.01742 126.2
[M+HCOO]- 227.01836 150.6
[M+CH3COO]- 241.03401 146.1
[M+Na-2H]- 202.99483 135.7
[M]+ 182.01961 134.1
[M]- 182.02071 134.1
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