CID 112694807

2-bromo-4-(3-fluorophenyl)-5-methyl-1,3-thiazole

Structural Information

Molecular Formula
C10H7BrFNS
SMILES
CC1=C(N=C(S1)Br)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H7BrFNS/c1-6-9(13-10(11)14-6)7-3-2-4-8(12)5-7/h2-5H,1H3
InChIKey
MKEDDNPPOZDEHU-UHFFFAOYSA-N
Compound name
2-bromo-4-(3-fluorophenyl)-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.94666 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95394 144.8
[M+Na]+ 293.93588 149.2
[M+NH4]+ 288.98048 150.5
[M+K]+ 309.90982 147.9
[M-H]- 269.93938 146.2
[M+Na-2H]- 291.92133 149.3
[M]+ 270.94611 145.1
[M]- 270.94721 145.1
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.