CID 3041688

Thiophene, 3,5-dinitro-2-iodo-

Structural Information

Molecular Formula
C4HIN2O4S
SMILES
C1=C(SC(=C1[N+](=O)[O-])I)[N+](=O)[O-]
InChI
InChI=1S/C4HIN2O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H
InChIKey
IIEHVPJUARYTAU-UHFFFAOYSA-N
Compound name
2-iodo-3,5-dinitrothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.87018 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.87746 158.0
[M+Na]+ 322.85940 158.8
[M-H]- 298.86290 155.8
[M+NH4]+ 317.90400 172.4
[M+K]+ 338.83334 154.9
[M+H-H2O]+ 282.86744 157.2
[M+HCOO]- 344.86838 175.0
[M+CH3COO]- 358.88403 178.6
[M+Na-2H]- 320.84485 151.2
[M]+ 299.86963 153.2
[M]- 299.87073 153.2
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