CID 57601285

871013-22-8

Structural Information

Molecular Formula
C9H8FNS
SMILES
C1=CC2=C(C=C1F)C(=CS2)CN
InChI
InChI=1S/C9H8FNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKey
JKYPXTAKSVLCGX-UHFFFAOYSA-N
Compound name
(5-fluoro-1-benzothiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

181.03615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.043426 131.4
[M+Na]+ 204.025368 143.0
[M-H]- 180.028874 135.5
[M+NH4]+ 199.069973 155.1
[M+K]+ 219.999308 138.5
[M+H-H2O]+ 164.033410 125.8
[M+HCOO]- 226.034351 152.3
[M+CH3COO]- 240.050001 146.3
[M+Na-2H]- 202.010816 135.7
[M]+ 181.03560142 132.9
[M]- 181.03669858 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