CID 66520067

5-bromo-4-cyclopropylthiazole

Structural Information

Molecular Formula
C6H6BrNS
SMILES
C1CC1C2=C(SC=N2)Br
InChI
InChI=1S/C6H6BrNS/c7-6-5(4-1-2-4)8-3-9-6/h3-4H,1-2H2
InChIKey
YILAOMWQUUZUKC-UHFFFAOYSA-N
Compound name
5-bromo-4-cyclopropyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

202.94043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94771 122.6
[M+Na]+ 225.92965 127.3
[M+NH4]+ 220.97425 129.5
[M+K]+ 241.90359 128.4
[M-H]- 201.93315 130.0
[M+Na-2H]- 223.91510 129.3
[M]+ 202.93988 125.6
[M]- 202.94098 125.6
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