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 144.6
[M+Na]+ 301.96096 156.7
[M-H]- 277.96446 152.1
[M+NH4]+ 297.00556 166.1
[M+K]+ 317.93490 143.5
[M+H-H2O]+ 261.96900 144.8
[M+HCOO]- 323.96994 160.9
[M+CH3COO]- 337.98559 159.5
[M+Na-2H]- 299.94641 151.2
[M]+ 278.97119 164.0
[M]- 278.97229 164.0
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.