CID 238793

Porphyrillic acid

Structural Information

Molecular Formula
C16H10O7
SMILES
CC1=CC(=C2C3=C(C=C(C4=C3COC4=O)O)OC2=C1C(=O)O)O
InChI
InChI=1S/C16H10O7/c1-5-2-7(17)13-12-6-4-22-16(21)11(6)8(18)3-9(12)23-14(13)10(5)15(19)20/h2-3,17-18H,4H2,1H3,(H,19,20)
InChIKey
QZYZPZAPRHESDA-UHFFFAOYSA-N
Compound name
4,10-dihydroxy-8-methyl-3-oxo-1H-[2]benzofuro[5,4-b][1]benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.04266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 164.0
[M+Na]+ 337.03188 176.3
[M-H]- 313.03538 170.3
[M+NH4]+ 332.07648 181.4
[M+K]+ 353.00582 174.6
[M+H-H2O]+ 297.03992 161.2
[M+HCOO]- 359.04086 181.0
[M+CH3COO]- 373.05651 177.2
[M+Na-2H]- 335.01733 167.3
[M]+ 314.04211 171.3
[M]- 314.04321 171.3
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

patents stripe