CID 45787622

5-bromo-2-cyclohexyl-1,3-thiazole

Structural Information

Molecular Formula
C9H12BrNS
SMILES
C1CCC(CC1)C2=NC=C(S2)Br
InChI
InChI=1S/C9H12BrNS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey
IEPZESPMXKLXCT-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclohexyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

244.98738 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.994656 140.8
[M+Na]+ 267.976598 152.0
[M-H]- 243.980104 148.9
[M+NH4]+ 263.021203 163.2
[M+K]+ 283.950538 141.0
[M+H-H2O]+ 227.984640 141.3
[M+HCOO]- 289.985581 155.5
[M+CH3COO]- 304.001231 155.7
[M+Na-2H]- 265.962046 144.0
[M]+ 244.98683142 157.2
[M]- 244.98792858 157.2
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

patents stripe