CID 129965269

2-bromo-5-fluoro-4-methyl-1,3-benzothiazole

Structural Information

Molecular Formula
C8H5BrFNS
SMILES
CC1=C(C=CC2=C1N=C(S2)Br)F
InChI
InChI=1S/C8H5BrFNS/c1-4-5(10)2-3-6-7(4)11-8(9)12-6/h2-3H,1H3
InChIKey
PTEPNZCNUBCBQG-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-4-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.93102 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.93830 135.8
[M+Na]+ 267.92024 140.5
[M+NH4]+ 262.96484 141.9
[M+K]+ 283.89418 139.4
[M-H]- 243.92374 136.0
[M+Na-2H]- 265.90569 139.3
[M]+ 244.93047 135.8
[M]- 244.93157 135.8
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