CID 19963271

3-chloro-2-iodothiophene

Structural Information

Molecular Formula
C4H2ClIS
SMILES
C1=CSC(=C1Cl)I
InChI
InChI=1S/C4H2ClIS/c5-3-1-2-7-4(3)6/h1-2H
InChIKey
VZKNBCJDVLLTCL-UHFFFAOYSA-N
Compound name
3-chloro-2-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

243.86105 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe