CID 56993130

3-chloro-5-fluoro-1,2-benzothiazole

Structural Information

Molecular Formula
C7H3ClFNS
SMILES
C1=CC2=C(C=C1F)C(=NS2)Cl
InChI
InChI=1S/C7H3ClFNS/c8-7-5-3-4(9)1-2-6(5)11-10-7/h1-3H
InChIKey
XPZWCJQMRIUYSO-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoro-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.96588 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe