CID 9579378

(3-chloro-benzylidene)-(6-fluoro-benzothiazol-2-yl)-amine

Structural Information

Molecular Formula
C14H8ClFN2S
SMILES
C1=CC(=CC(=C1)Cl)/C=N/C2=NC3=C(S2)C=C(C=C3)F
InChI
InChI=1S/C14H8ClFN2S/c15-10-3-1-2-9(6-10)8-17-14-18-12-5-4-11(16)7-13(12)19-14/h1-8H/b17-8+
InChIKey
WMQYIOYSBTVESJ-CAOOACKPSA-N
Compound name
(E)-1-(3-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0081 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01538 160.0
[M+Na]+ 312.99732 173.3
[M-H]- 289.00082 167.6
[M+NH4]+ 308.04192 179.6
[M+K]+ 328.97126 165.9
[M+H-H2O]+ 273.00536 152.4
[M+HCOO]- 335.00630 177.2
[M+CH3COO]- 349.02195 173.7
[M+Na-2H]- 310.98277 164.1
[M]+ 290.00755 165.8
[M]- 290.00865 165.8
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

No patent data available for this compound.