CID 2049870

2-chloro-6-fluorobenzothiazole

Structural Information

Molecular Formula
C7H3ClFNS
SMILES
C1=CC2=C(C=C1F)SC(=N2)Cl
InChI
InChI=1S/C7H3ClFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKey
ISIIQFDYFMPPOA-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

347
Patents

186.96588 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97316 128.7
[M+Na]+ 209.95510 142.8
[M-H]- 185.95860 132.2
[M+NH4]+ 204.99970 152.4
[M+K]+ 225.92904 137.7
[M+H-H2O]+ 169.96314 123.6
[M+HCOO]- 231.96408 144.1
[M+CH3COO]- 245.97973 144.1
[M+Na-2H]- 207.94055 133.8
[M]+ 186.96533 133.6
[M]- 186.96643 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe