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 151.5
[M+Na]+ 284.90698 163.8
[M-H]- 260.91048 157.7
[M+NH4]+ 279.95158 172.3
[M+K]+ 300.88092 156.7
[M+H-H2O]+ 244.91502 148.1
[M+HCOO]- 306.91596 157.5
[M+CH3COO]- 320.93161 164.6
[M+Na-2H]- 282.89243 151.3
[M]+ 261.91721 156.3
[M]- 261.91831 156.3
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.