CID 13275558

5-nitrothiophene-3-carbonyl chloride

Structural Information

Molecular Formula
C5H2ClNO3S
SMILES
C1=C(SC=C1C(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H2ClNO3S/c6-5(8)3-1-4(7(9)10)11-2-3/h1-2H
InChIKey
KXGBCXFSXKOCKE-UHFFFAOYSA-N
Compound name
5-nitrothiophene-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

190.9444 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.95168 132.7
[M+Na]+ 213.93362 144.6
[M+NH4]+ 208.97822 141.5
[M+K]+ 229.90756 141.7
[M-H]- 189.93712 134.9
[M+Na-2H]- 211.91907 137.4
[M]+ 190.94385 135.5
[M]- 190.94495 135.5
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