CID 5748629

5-nitrothiophene-2-carbohydrazide

Structural Information

Molecular Formula
C5H5N3O3S
SMILES
C1=C(SC(=C1)[N+](=O)[O-])C(=O)NN
InChI
InChI=1S/C5H5N3O3S/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9)
InChIKey
HYYOPSIKJXWRID-UHFFFAOYSA-N
Compound name
5-nitrothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.00516 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.012436 132.9
[M+Na]+ 209.994378 139.4
[M-H]- 185.997884 136.5
[M+NH4]+ 205.038983 152.7
[M+K]+ 225.968318 133.5
[M+H-H2O]+ 170.002420 131.2
[M+HCOO]- 232.003361 155.6
[M+CH3COO]- 246.019011 175.4
[M+Na-2H]- 207.979826 137.3
[M]+ 187.00461142 130.1
[M]- 187.00570858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe