CID 168432531

2-bromo-5-(3-fluorobenzyl)thiazole

Structural Information

Molecular Formula
C10H7BrFNS
SMILES
C1=CC(=CC(=C1)F)CC2=CN=C(S2)Br
InChI
InChI=1S/C10H7BrFNS/c11-10-13-6-9(14-10)5-7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKey
PKCNJQVDKYWSJH-UHFFFAOYSA-N
Compound name
2-bromo-5-[(3-fluorophenyl)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.94666 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95394 142.1
[M+Na]+ 293.93588 156.7
[M-H]- 269.93938 150.1
[M+NH4]+ 288.98048 164.0
[M+K]+ 309.90982 144.3
[M+H-H2O]+ 253.94392 141.8
[M+HCOO]- 315.94486 159.6
[M+CH3COO]- 329.96051 158.1
[M+Na-2H]- 291.92133 146.4
[M]+ 270.94611 162.2
[M]- 270.94721 162.2
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

No patent data available for this compound.