CID 71043269

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

Structural Information

Molecular Formula
C9H8BrNS
SMILES
C1=CC2=C(C=C1Br)C=C(S2)CN
InChI
InChI=1S/C9H8BrNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKey
XVLAKZFSRONVJW-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzothiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

No literature data available for this compound.

Patent stripe

patents stripe