CID 3024541

96159-85-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.