CID 3062013

Brn 5954436

Structural Information

Molecular Formula
C14H14BrNOS
SMILES
CC(=O)NC(CC1=CC=C(C=C1)Br)C2=CC=CS2
InChI
InChI=1S/C14H14BrNOS/c1-10(17)16-13(14-3-2-8-18-14)9-11-4-6-12(15)7-5-11/h2-8,13H,9H2,1H3,(H,16,17)
InChIKey
YYPRSZYOLVPXFV-UHFFFAOYSA-N
Compound name
N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.99796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00524 156.4
[M+Na]+ 345.98718 158.3
[M+NH4]+ 341.03178 161.6
[M+K]+ 361.96112 158.0
[M-H]- 321.99068 158.9
[M+Na-2H]- 343.97263 160.6
[M]+ 322.99741 156.5
[M]- 322.99851 156.5
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.