CID 4388269

2-phenyl-3,4,5-trichlorothiophene

Structural Information

Molecular Formula
C10H5Cl3S
SMILES
C1=CC=C(C=C1)C2=C(C(=C(S2)Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3S/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5H
InChIKey
WWVRYPUAHAGYDI-UHFFFAOYSA-N
Compound name
2,3,4-trichloro-5-phenylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.91776 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.92504 154.8
[M+Na]+ 284.90698 171.2
[M+NH4]+ 279.95158 165.8
[M+K]+ 300.88092 160.9
[M-H]- 260.91048 159.5
[M+Na-2H]- 282.89243 163.0
[M]+ 261.91721 160.0
[M]- 261.91831 160.0
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.