CID 3034767

65776-65-0

Structural Information

Molecular Formula
C12H10BrNS
SMILES
CC(=S)NC1=CC2=CC=CC=C2C=C1Br
InChI
InChI=1S/C12H10BrNS/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13/h2-7H,1H3,(H,14,15)
InChIKey
GJYSHKHREVFSIB-UHFFFAOYSA-N
Compound name
N-(3-bromonaphthalen-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.97174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.97902 138.5
[M+Na]+ 301.96096 142.9
[M+NH4]+ 297.00556 145.1
[M+K]+ 317.93490 140.3
[M-H]- 277.96446 141.2
[M+Na-2H]- 299.94641 143.6
[M]+ 278.97119 139.2
[M]- 278.97229 139.2
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.