CID 208282

31898-41-6

Structural Information

Molecular Formula
C9H6N2O3S2
SMILES
CC(=O)C1=CSC(=N1)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3S2/c1-5(12)6-4-15-9(10-6)7-2-3-8(16-7)11(13)14/h2-4H,1H3
InChIKey
AVTRLXYDXJLMQR-UHFFFAOYSA-N
Compound name
1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.98198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98926 149.9
[M+Na]+ 276.97120 161.2
[M+NH4]+ 272.01580 158.0
[M+K]+ 292.94514 158.4
[M-H]- 252.97470 153.4
[M+Na-2H]- 274.95665 155.0
[M]+ 253.98143 153.1
[M]- 253.98253 153.1
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.