CID 5798722

Nsc670685

Structural Information

Molecular Formula
C15H9Cl2NS
SMILES
C1=CC=C2C(=C1)N=C(S2)/C=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2NS/c16-11-7-5-10(9-12(11)17)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H/b8-6+
InChIKey
XCPIFYWAYGORLC-SOFGYWHQSA-N
Compound name
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.98328 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.99056 165.3
[M+Na]+ 327.97250 178.8
[M-H]- 303.97600 172.1
[M+NH4]+ 323.01710 184.4
[M+K]+ 343.94644 170.1
[M+H-H2O]+ 287.98054 159.6
[M+HCOO]- 349.98148 175.5
[M+CH3COO]- 363.99713 178.2
[M+Na-2H]- 325.95795 167.4
[M]+ 304.98273 172.2
[M]- 304.98383 172.2
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.