CID 102035230

Pochonin h

Structural Information

Molecular Formula
C18H17ClO5
SMILES
C[C@@H]1C/C=C/CC2=CC=C(O2)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
InChI
InChI=1S/C18H17ClO5/c1-10-4-2-3-5-11-6-7-12(24-11)8-13-16(18(22)23-10)14(20)9-15(21)17(13)19/h2-3,6-7,9-10,20-21H,4-5,8H2,1H3/b3-2+/t10-/m1/s1
InChIKey
FMTPUVKFUGIZNF-VMZHVLLKSA-N
Compound name
(11R,13E)-4-chloro-5,7-dihydroxy-11-methyl-10,19-dioxatricyclo[14.2.1.03,8]nonadeca-1(18),3(8),4,6,13,16-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.07645 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08373 176.4
[M+Na]+ 371.06567 186.9
[M-H]- 347.06917 178.8
[M+NH4]+ 366.11027 189.1
[M+K]+ 387.03961 184.3
[M+H-H2O]+ 331.07371 176.3
[M+HCOO]- 393.07465 186.6
[M+CH3COO]- 407.09030 186.9
[M+Na-2H]- 369.05112 178.8
[M]+ 348.07590 179.0
[M]- 348.07700 179.0
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.