CID 165798485

3-(2-amino-1,3-thiazol-4-yl)-4-bromobenzonitrile

Structural Information

Molecular Formula
C10H6BrN3S
SMILES
C1=CC(=C(C=C1C#N)C2=CSC(=N2)N)Br
InChI
InChI=1S/C10H6BrN3S/c11-8-2-1-6(4-12)3-7(8)9-5-15-10(13)14-9/h1-3,5H,(H2,13,14)
InChIKey
DSZUXODCZWYBDV-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-4-yl)-4-bromobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9466 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95388 149.0
[M+Na]+ 301.93582 164.8
[M-H]- 277.93932 155.4
[M+NH4]+ 296.98042 167.6
[M+K]+ 317.90976 151.5
[M+H-H2O]+ 261.94386 141.4
[M+HCOO]- 323.94480 166.0
[M+CH3COO]- 337.96045 162.5
[M+Na-2H]- 299.92127 152.2
[M]+ 278.94605 161.5
[M]- 278.94715 161.5
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.