CID 15073981

2,3,5-trichloro-4-methylthiophene

Structural Information

Molecular Formula
C5H3Cl3S
SMILES
CC1=C(SC(=C1Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl3S/c1-2-3(6)5(8)9-4(2)7/h1H3
InChIKey
ZWNNCNLQURMDAO-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-4-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

199.9021 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.90938 135.0
[M+Na]+ 222.89132 147.4
[M-H]- 198.89482 138.4
[M+NH4]+ 217.93592 158.2
[M+K]+ 238.86526 141.9
[M+H-H2O]+ 182.89936 133.3
[M+HCOO]- 244.90030 140.8
[M+CH3COO]- 258.91595 181.4
[M+Na-2H]- 220.87677 134.9
[M]+ 199.90155 139.4
[M]- 199.90265 139.4
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

patents stripe