CID 90134564

6-bromo-4-fluorobenzo[d]thiazole

Structural Information

Molecular Formula
C7H3BrFNS
SMILES
C1=C(C=C2C(=C1F)N=CS2)Br
InChI
InChI=1S/C7H3BrFNS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
InChIKey
CVFRSCIDHQWFGC-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

230.91536 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92264 128.9
[M+Na]+ 253.90458 145.8
[M-H]- 229.90808 135.5
[M+NH4]+ 248.94918 153.8
[M+K]+ 269.87852 134.0
[M+H-H2O]+ 213.91262 129.8
[M+HCOO]- 275.91356 147.2
[M+CH3COO]- 289.92921 146.3
[M+Na-2H]- 251.89003 136.4
[M]+ 230.91481 150.7
[M]- 230.91591 150.7
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