CID 121553100

4-bromo-2-cyclopropanecarbonyl-1,3-thiazole

Structural Information

Molecular Formula
C7H6BrNOS
SMILES
C1CC1C(=O)C2=NC(=CS2)Br
InChI
InChI=1S/C7H6BrNOS/c8-5-3-11-7(9-5)6(10)4-1-2-4/h3-4H,1-2H2
InChIKey
QLXDEZOJJMCKDM-UHFFFAOYSA-N
Compound name
(4-bromo-1,3-thiazol-2-yl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.93535 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94263 133.4
[M+Na]+ 253.92457 148.4
[M-H]- 229.92807 143.0
[M+NH4]+ 248.96917 151.9
[M+K]+ 269.89851 136.9
[M+H-H2O]+ 213.93261 133.4
[M+HCOO]- 275.93355 151.1
[M+CH3COO]- 289.94920 187.1
[M+Na-2H]- 251.91002 137.6
[M]+ 230.93480 155.4
[M]- 230.93590 155.4
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

No patent data available for this compound.