CID 2761360

3884-34-2

Structural Information

Molecular Formula
C9H6BrNOS
SMILES
C1=CC(=CC=C1C2=CSC(=O)N2)Br
InChI
InChI=1S/C9H6BrNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
DEOWCFMGCQNWDK-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

254.93535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94263 137.6
[M+Na]+ 277.92457 152.2
[M-H]- 253.92807 145.8
[M+NH4]+ 272.96917 159.4
[M+K]+ 293.89851 139.4
[M+H-H2O]+ 237.93261 138.5
[M+HCOO]- 299.93355 155.3
[M+CH3COO]- 313.94920 153.7
[M+Na-2H]- 275.91002 142.7
[M]+ 254.93480 157.3
[M]- 254.93590 157.3
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

patents stripe