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

17
Patents

254.93535 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94263 137.8
[M+Na]+ 277.92457 151.8
[M-H]- 253.92807 147.0
[M+NH4]+ 272.96917 160.1
[M+K]+ 293.89851 140.7
[M+H-H2O]+ 237.93261 138.3
[M+HCOO]- 299.93355 156.9
[M+CH3COO]- 313.94920 154.3
[M+Na-2H]- 275.91002 144.0
[M]+ 254.93480 159.5
[M]- 254.93590 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