CID 165664715

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

Structural Information

Molecular Formula
C5H2BrNS
SMILES
C#CC1=NC(=CS1)Br
InChI
InChI=1S/C5H2BrNS/c1-2-5-7-4(6)3-8-5/h1,3H
InChIKey
FMXJUEWQEOSIGR-UHFFFAOYSA-N
Compound name
4-bromo-2-ethynyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.90913 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.91641 122.7
[M+Na]+ 209.89835 139.5
[M-H]- 185.90185 126.7
[M+NH4]+ 204.94295 145.1
[M+K]+ 225.87229 128.2
[M+H-H2O]+ 169.90639 117.4
[M+HCOO]- 231.90733 138.0
[M+CH3COO]- 245.92298 138.0
[M+Na-2H]- 207.88380 127.6
[M]+ 186.90858 136.2
[M]- 186.90968 136.2
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.