CID 15077122

89502-01-2

Structural Information

Molecular Formula
C6H8BrNOS
SMILES
CCOC1=C(N=C(S1)C)Br
InChI
InChI=1S/C6H8BrNOS/c1-3-9-6-5(7)8-4(2)10-6/h3H2,1-2H3
InChIKey
NWQPXDFTPXCHHA-UHFFFAOYSA-N
Compound name
4-bromo-5-ethoxy-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.951 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95828 130.2
[M+Na]+ 243.94022 144.9
[M-H]- 219.94372 136.6
[M+NH4]+ 238.98482 154.2
[M+K]+ 259.91416 134.4
[M+H-H2O]+ 203.94826 131.1
[M+HCOO]- 265.94920 148.4
[M+CH3COO]- 279.96485 183.7
[M+Na-2H]- 241.92567 134.9
[M]+ 220.95045 153.3
[M]- 220.95155 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe