CID 9580509

Hms1449i13

Structural Information

Molecular Formula
C9H7NOS2
SMILES
C1=CSC(=C1)C2=CC=C(S2)/C=N/O
InChI
InChI=1S/C9H7NOS2/c11-10-6-7-3-4-9(13-7)8-2-1-5-12-8/h1-6,11H/b10-6+
InChIKey
JGJDBQGWTDEWKE-UXBLZVDNSA-N
Compound name
(NE)-N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.9969 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.004176 142.8
[M+Na]+ 231.986118 154.4
[M-H]- 207.989624 151.1
[M+NH4]+ 227.030723 166.2
[M+K]+ 247.960058 150.0
[M+H-H2O]+ 191.994160 137.8
[M+HCOO]- 253.995101 162.6
[M+CH3COO]- 268.010751 157.6
[M+Na-2H]- 229.971566 143.7
[M]+ 208.99635142 147.2
[M]- 208.99744858 147.2
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.