CID 7537503

(5-bromo-1-benzothiophen-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H8BrNS
SMILES
C1=CC2=C(C=C1Br)C(=CS2)CN
InChI
InChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKey
DVYWOASQESEKEC-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzothiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

240.95609 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96337 136.5
[M+Na]+ 263.94531 151.3
[M-H]- 239.94881 144.6
[M+NH4]+ 258.98991 161.4
[M+K]+ 279.91925 138.7
[M+H-H2O]+ 223.95335 137.6
[M+HCOO]- 285.95429 156.3
[M+CH3COO]- 299.96994 153.2
[M+Na-2H]- 261.93076 143.0
[M]+ 240.95554 157.5
[M]- 240.95664 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe