CID 6474255

Nsc689171

Structural Information

Molecular Formula
C12H10OS
SMILES
C1=CC(=C(/C=C/C2=CC=CS2)O)C=C1
InChI
InChI=1S/C12H10OS/c13-12(10-4-1-2-5-10)8-7-11-6-3-9-14-11/h1-9,13H/b8-7+
InChIKey
OFZJQRNJBYNCRD-BQYQJAHWSA-N
Compound name
(E)-1-cyclopenta-2,4-dien-1-ylidene-3-thiophen-2-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04524 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 147.8
[M+Na]+ 225.03446 156.1
[M-H]- 201.03796 154.0
[M+NH4]+ 220.07906 170.4
[M+K]+ 241.00840 151.7
[M+H-H2O]+ 185.04250 142.7
[M+HCOO]- 247.04344 167.6
[M+CH3COO]- 261.05909 177.5
[M+Na-2H]- 223.01991 147.0
[M]+ 202.04469 147.9
[M]- 202.04579 147.9
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.