CID 5702423

3-(2-nitrovinyl)thiophene

Structural Information

Molecular Formula
C6H5NO2S
SMILES
C1=CSC=C1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H5NO2S/c8-7(9)3-1-6-2-4-10-5-6/h1-5H/b3-1+
InChIKey
BKLSHYMRBHFIAN-HNQUOIGGSA-N
Compound name
3-[(E)-2-nitroethenyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

155.0041 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.01138 130.4
[M+Na]+ 177.99332 138.4
[M-H]- 153.99682 134.6
[M+NH4]+ 173.03792 152.8
[M+K]+ 193.96726 132.2
[M+H-H2O]+ 138.00136 129.7
[M+HCOO]- 200.00230 152.6
[M+CH3COO]- 214.01795 166.0
[M+Na-2H]- 175.97877 135.2
[M]+ 155.00355 129.7
[M]- 155.00465 129.7
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