CID 3024539

Thiazole, 4,5-dihydro-2-(4-bromophenyl)-

Structural Information

Molecular Formula
C9H8BrNS
SMILES
C1CSC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKey
GQODWBBIGYWREA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.95609 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96337 136.6
[M+Na]+ 263.94531 149.8
[M-H]- 239.94881 145.4
[M+NH4]+ 258.98991 159.4
[M+K]+ 279.91925 138.4
[M+H-H2O]+ 223.95335 137.2
[M+HCOO]- 285.95429 154.1
[M+CH3COO]- 299.96994 152.7
[M+Na-2H]- 261.93076 141.7
[M]+ 240.95554 155.7
[M]- 240.95664 155.7
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