CID 9579379

(6-fluoro-benzothiazol-2-yl)-(4-nitro-benzylidene)-amine

Structural Information

Molecular Formula
C14H8FN3O2S
SMILES
C1=CC(=CC=C1/C=N/C2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]
InChI
InChI=1S/C14H8FN3O2S/c15-10-3-6-12-13(7-10)21-14(17-12)16-8-9-1-4-11(5-2-9)18(19)20/h1-8H/b16-8+
InChIKey
KPZLIBRQWPJVLO-LZYBPNLTSA-N
Compound name
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.03214 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03942 161.9
[M+Na]+ 324.02136 171.8
[M-H]- 300.02486 169.4
[M+NH4]+ 319.06596 178.6
[M+K]+ 339.99530 162.3
[M+H-H2O]+ 284.02940 157.5
[M+HCOO]- 346.03034 184.4
[M+CH3COO]- 360.04599 199.1
[M+Na-2H]- 322.00681 168.6
[M]+ 301.03159 163.6
[M]- 301.03269 163.6
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

No patent data available for this compound.