CID 9579181

4h-1-benzopyran-4-one, 6-chloro-3-[(e)-[(4-chloro-2-benzothiazolyl)imino]methyl]-

Structural Information

Molecular Formula
C17H8Cl2N2O2S
SMILES
C1=CC2=C(C(=C1)Cl)N=C(S2)/N=C/C3=COC4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C17H8Cl2N2O2S/c18-10-4-5-13-11(6-10)16(22)9(8-23-13)7-20-17-21-15-12(19)2-1-3-14(15)24-17/h1-8H/b20-7+
InChIKey
FXVAKGUAQLOQCH-IFRROFPPSA-N
Compound name
6-chloro-3-[(E)-(4-chloro-1,3-benzothiazol-2-yl)iminomethyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.96835 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.97563 182.6
[M+Na]+ 396.95757 197.7
[M-H]- 372.96107 192.8
[M+NH4]+ 392.00217 199.1
[M+K]+ 412.93151 191.0
[M+H-H2O]+ 356.96561 176.3
[M+HCOO]- 418.96655 194.1
[M+CH3COO]- 432.98220 195.5
[M+Na-2H]- 394.94302 187.0
[M]+ 373.96780 193.8
[M]- 373.96890 193.8
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.