CID 2795493

5-(bromomethyl)-4-methyl-2-phenylthiazole

Structural Information

Molecular Formula
C11H10BrNS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)CBr
InChI
InChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
JIYKQPNREFZLCN-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

266.97174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.979016 143.2
[M+Na]+ 289.960958 157.4
[M-H]- 265.964464 152.5
[M+NH4]+ 285.005563 165.4
[M+K]+ 305.934898 145.3
[M+H-H2O]+ 249.969000 143.7
[M+HCOO]- 311.969941 161.4
[M+CH3COO]- 325.985591 159.4
[M+Na-2H]- 287.946406 147.7
[M]+ 266.97119142 164.6
[M]- 266.97228858 164.6
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