CID 43286748

4-(2-bromophenyl)-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C9H6BrNOS
SMILES
C1=CC=C(C(=C1)C2=CSC(=O)N2)Br
InChI
InChI=1S/C9H6BrNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
FMQWFFQPHDOTDH-UHFFFAOYSA-N
Compound name
4-(2-bromophenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

254.93535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.942626 137.6
[M+Na]+ 277.924568 152.2
[M-H]- 253.928074 145.8
[M+NH4]+ 272.969173 159.4
[M+K]+ 293.898508 139.4
[M+H-H2O]+ 237.932610 138.5
[M+HCOO]- 299.933551 155.3
[M+CH3COO]- 313.949201 153.7
[M+Na-2H]- 275.910016 142.7
[M]+ 254.93480142 157.3
[M]- 254.93589858 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