CID 2798782

23799-56-6

Structural Information

Molecular Formula
C9H8ClNS
SMILES
C1=CC2=C(C=C1Cl)C(=CS2)CN
InChI
InChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKey
VRNXLYAXYIHHHH-UHFFFAOYSA-N
Compound name
(5-chloro-1-benzothiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

197.00659 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01387 137.1
[M+Na]+ 219.99581 149.3
[M-H]- 195.99931 142.5
[M+NH4]+ 215.04041 161.1
[M+K]+ 235.96975 143.6
[M+H-H2O]+ 180.00385 133.2
[M+HCOO]- 242.00479 154.4
[M+CH3COO]- 256.02044 152.0
[M+Na-2H]- 217.98126 141.4
[M]+ 197.00604 141.5
[M]- 197.00714 141.5
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

No patent data available for this compound.