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

349
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.