CID 3106702

61390-20-3

Structural Information

Molecular Formula
C19H16O3
SMILES
C1CC(=CC2=CC=CC=C2O)C(=O)C1=CC3=CC=CC=C3O
InChI
InChI=1S/C19H16O3/c20-17-7-3-1-5-13(17)11-15-9-10-16(19(15)22)12-14-6-2-4-8-18(14)21/h1-8,11-12,20-21H,9-10H2
InChIKey
SWXUQQKBZLHYOF-UHFFFAOYSA-N
Compound name
2,5-bis[(2-hydroxyphenyl)methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

292.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.9
[M+Na]+ 315.09917 175.1
[M-H]- 291.10267 175.3
[M+NH4]+ 310.14377 183.7
[M+K]+ 331.07311 168.3
[M+H-H2O]+ 275.10721 160.8
[M+HCOO]- 337.10815 188.1
[M+CH3COO]- 351.12380 195.8
[M+Na-2H]- 313.08462 167.4
[M]+ 292.10940 163.9
[M]- 292.11050 163.9
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

patents stripe