CID 62507816

5-nitro-2-(thiophen-2-ylsulfanyl)aniline

Structural Information

Molecular Formula
C10H8N2O2S2
SMILES
C1=CSC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C10H8N2O2S2/c11-8-6-7(12(13)14)3-4-9(8)16-10-2-1-5-15-10/h1-6H,11H2
InChIKey
OKFFNHCCCNRROG-UHFFFAOYSA-N
Compound name
5-nitro-2-thiophen-2-ylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01000 149.5
[M+Na]+ 274.99194 157.3
[M-H]- 250.99544 156.1
[M+NH4]+ 270.03654 167.5
[M+K]+ 290.96588 147.7
[M+H-H2O]+ 234.99998 147.4
[M+HCOO]- 297.00092 166.2
[M+CH3COO]- 311.01657 186.2
[M+Na-2H]- 272.97739 152.0
[M]+ 252.00217 148.1
[M]- 252.00327 148.1
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.