CID 3044935

3-acetylamino-2-nitrothiophene

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
CC(=O)NC1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3S/c1-4(9)7-5-2-3-12-6(5)8(10)11/h2-3H,1H3,(H,7,9)
InChIKey
SUFHTGUFPKPKJF-UHFFFAOYSA-N
Compound name
N-(2-nitrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00992 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.017196 135.6
[M+Na]+ 208.999138 142.8
[M-H]- 185.002644 139.9
[M+NH4]+ 204.043743 156.3
[M+K]+ 224.973078 137.2
[M+H-H2O]+ 169.007180 134.4
[M+HCOO]- 231.008121 157.8
[M+CH3COO]- 245.023771 174.3
[M+Na-2H]- 206.984586 139.7
[M]+ 186.00937142 135.1
[M]- 186.01046858 135.1
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

No patent data available for this compound.