CID 56776737

90672-80-3

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CC1=C(N=C(S1)C)Br
InChI
InChI=1S/C5H6BrNS/c1-3-5(6)7-4(2)8-3/h1-2H3
InChIKey
QVOKCMXADQNRPT-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

190.94043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 122.6
[M+Na]+ 213.92965 137.9
[M-H]- 189.93315 129.2
[M+NH4]+ 208.97425 147.8
[M+K]+ 229.90359 127.2
[M+H-H2O]+ 173.93769 123.8
[M+HCOO]- 235.93863 140.8
[M+CH3COO]- 249.95428 179.1
[M+Na-2H]- 211.91510 127.7
[M]+ 190.93988 144.0
[M]- 190.94098 144.0
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