CID 39869113

(5-fluoro-1-benzothiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H8FNS
SMILES
C1=CC2=C(C=C1F)C=C(S2)CN
InChI
InChI=1S/C9H8FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKey
VAFHNDAQEIJQSD-UHFFFAOYSA-N
Compound name
(5-fluoro-1-benzothiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.03615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04343 131.4
[M+Na]+ 204.02537 143.0
[M-H]- 180.02887 135.5
[M+NH4]+ 199.06997 155.1
[M+K]+ 219.99931 138.5
[M+H-H2O]+ 164.03341 125.8
[M+HCOO]- 226.03435 152.3
[M+CH3COO]- 240.05000 146.3
[M+Na-2H]- 202.01082 135.7
[M]+ 181.03560 132.9
[M]- 181.03670 132.9
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