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

57
Patents

266.97174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.97902 143.2
[M+Na]+ 289.96096 157.4
[M-H]- 265.96446 152.5
[M+NH4]+ 285.00556 165.4
[M+K]+ 305.93490 145.3
[M+H-H2O]+ 249.96900 143.7
[M+HCOO]- 311.96994 161.4
[M+CH3COO]- 325.98559 159.4
[M+Na-2H]- 287.94641 147.7
[M]+ 266.97119 164.6
[M]- 266.97229 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