CID 146609930

5-(4-bromophenoxy)-1,3-thiazole

Structural Information

Molecular Formula
C9H6BrNOS
SMILES
C1=CC(=CC=C1OC2=CN=CS2)Br
InChI
InChI=1S/C9H6BrNOS/c10-7-1-3-8(4-2-7)12-9-5-11-6-13-9/h1-6H
InChIKey
RTMLWKIPBYHZBE-UHFFFAOYSA-N
Compound name
5-(4-bromophenoxy)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

254.93535 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.942626 137.8
[M+Na]+ 277.924568 151.8
[M-H]- 253.928074 147.0
[M+NH4]+ 272.969173 160.1
[M+K]+ 293.898508 140.7
[M+H-H2O]+ 237.932610 138.3
[M+HCOO]- 299.933551 156.9
[M+CH3COO]- 313.949201 154.3
[M+Na-2H]- 275.910016 144.0
[M]+ 254.93480142 159.5
[M]- 254.93589858 159.5
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

patents stripe