CID 130063384

2,4-dibromo-5-fluoro-1,3-benzothiazole

Structural Information

Molecular Formula
C7H2Br2FNS
SMILES
C1=CC2=C(C(=C1F)Br)N=C(S2)Br
InChI
InChI=1S/C7H2Br2FNS/c8-5-3(10)1-2-4-6(5)11-7(9)12-4/h1-2H
InChIKey
RWRXFUKEEIEGQS-UHFFFAOYSA-N
Compound name
2,4-dibromo-5-fluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.82587 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.83315 127.7
[M+Na]+ 331.81509 143.7
[M-H]- 307.81859 135.1
[M+NH4]+ 326.85969 149.6
[M+K]+ 347.78903 128.0
[M+H-H2O]+ 291.82313 137.0
[M+HCOO]- 353.82407 141.6
[M+CH3COO]- 367.83972 144.2
[M+Na-2H]- 329.80054 135.2
[M]+ 308.82532 164.7
[M]- 308.82642 164.7
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

No patent data available for this compound.