CID 204187

671-24-9

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CC1=C(SC=N1)CCBr
InChI
InChI=1S/C6H8BrNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKey
ZHDOTQJFFNDJLQ-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

204.95609 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 127.7
[M+Na]+ 227.94531 141.9
[M-H]- 203.94881 133.9
[M+NH4]+ 222.98991 152.2
[M+K]+ 243.91925 131.0
[M+H-H2O]+ 187.95335 128.6
[M+HCOO]- 249.95429 145.7
[M+CH3COO]- 263.96994 180.9
[M+Na-2H]- 225.93076 132.9
[M]+ 204.95554 149.1
[M]- 204.95664 149.1
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