CID 3062010

80154-75-2

Structural Information

Molecular Formula
C12H12BrNS
SMILES
C1=CSC(=C1)C(CC2=CC=C(C=C2)Br)N
InChI
InChI=1S/C12H12BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7,11H,8,14H2
InChIKey
HCXFERVCPBICNA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.98737 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.99465 151.0
[M+Na]+ 303.97659 162.4
[M-H]- 279.98009 160.2
[M+NH4]+ 299.02119 172.6
[M+K]+ 319.95053 149.7
[M+H-H2O]+ 263.98463 150.8
[M+HCOO]- 325.98557 169.0
[M+CH3COO]- 340.00122 165.8
[M+Na-2H]- 301.96204 153.9
[M]+ 280.98682 169.4
[M]- 280.98792 169.4
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.