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

10
Patents

244.98738 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99466 140.8
[M+Na]+ 267.97660 152.0
[M-H]- 243.98010 148.9
[M+NH4]+ 263.02120 163.2
[M+K]+ 283.95054 141.0
[M+H-H2O]+ 227.98464 141.3
[M+HCOO]- 289.98558 155.5
[M+CH3COO]- 304.00123 155.7
[M+Na-2H]- 265.96205 144.0
[M]+ 244.98683 157.2
[M]- 244.98793 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