CID 2790620

4-(4-bromophenyl)-2-thiazoleacetonitrile

Structural Information

Molecular Formula
C11H7BrN2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)CC#N)Br
InChI
InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5H2
InChIKey
VBHJUUAUIGGAPS-UHFFFAOYSA-N
Compound name
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

216
Patents

277.95132 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95860 148.2
[M+Na]+ 300.94054 164.2
[M-H]- 276.94404 155.0
[M+NH4]+ 295.98514 167.5
[M+K]+ 316.91448 151.1
[M+H-H2O]+ 260.94858 141.2
[M+HCOO]- 322.94952 164.9
[M+CH3COO]- 336.96517 162.1
[M+Na-2H]- 298.92599 152.1
[M]+ 277.95077 162.4
[M]- 277.95187 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe