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]+ 187.01720 135.6
[M+Na]+ 208.99914 142.8
[M-H]- 185.00264 139.9
[M+NH4]+ 204.04374 156.3
[M+K]+ 224.97308 137.2
[M+H-H2O]+ 169.00718 134.4
[M+HCOO]- 231.00812 157.8
[M+CH3COO]- 245.02377 174.3
[M+Na-2H]- 206.98459 139.7
[M]+ 186.00937 135.1
[M]- 186.01047 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.