CID 6478009

Nsc689164

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC(=C(/C=C/C2=CC(=CC=C2)[N+](=O)[O-])O)C=C1
InChI
InChI=1S/C14H11NO3/c16-14(12-5-1-2-6-12)9-8-11-4-3-7-13(10-11)15(17)18/h1-10,16H/b9-8+
InChIKey
PKBWJURXCLEGCO-CMDGGOBGSA-N
Compound name
(E)-1-cyclopenta-2,4-dien-1-ylidene-3-(3-nitrophenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0739 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 155.0
[M+Na]+ 264.06312 160.7
[M-H]- 240.06662 160.4
[M+NH4]+ 259.10772 172.2
[M+K]+ 280.03706 152.3
[M+H-H2O]+ 224.07116 152.9
[M+HCOO]- 286.07210 179.3
[M+CH3COO]- 300.08775 181.2
[M+Na-2H]- 262.04857 159.2
[M]+ 241.07335 151.3
[M]- 241.07445 151.3
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.