CID 368010

Nsc638239

Structural Information

Molecular Formula
C19H12O4
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4(C5=CC=CC=C5C(=O)C4(O3)O)O
InChI
InChI=1S/C19H12O4/c20-17-13-7-3-4-8-14(13)18(21)15-9-11-5-1-2-6-12(11)10-16(15)23-19(17,18)22/h1-10,21-22H
InChIKey
SXPWFHCPILFFNY-UHFFFAOYSA-N
Compound name
2,10-dihydroxy-11-oxapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,12,14,16,18-octaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08083 166.7
[M+Na]+ 327.06277 179.2
[M-H]- 303.06627 173.7
[M+NH4]+ 322.10737 190.9
[M+K]+ 343.03671 173.5
[M+H-H2O]+ 287.07081 161.5
[M+HCOO]- 349.07175 183.9
[M+CH3COO]- 363.08740 179.6
[M+Na-2H]- 325.04822 173.9
[M]+ 304.07300 169.9
[M]- 304.07410 169.9
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.