CID 90078474

Thiophene, 2-chloro-4-iodo-

Structural Information

Molecular Formula
C4H2ClIS
SMILES
C1=C(SC=C1I)Cl
InChI
InChI=1S/C4H2ClIS/c5-4-1-3(6)2-7-4/h1-2H
InChIKey
WVDYOBRGCZIDPH-UHFFFAOYSA-N
Compound name
2-chloro-4-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.86105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.86833 127.7
[M+Na]+ 266.85027 131.9
[M-H]- 242.85377 125.5
[M+NH4]+ 261.89487 147.9
[M+K]+ 282.82421 134.4
[M+H-H2O]+ 226.85831 120.7
[M+HCOO]- 288.85925 139.8
[M+CH3COO]- 302.87490 177.6
[M+Na-2H]- 264.83572 119.3
[M]+ 243.86050 128.3
[M]- 243.86160 128.3
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

patents stripe