CID 11084236

2,5-dihydroxyterephthalaldehyde

Structural Information

Molecular Formula
C8H6O4
SMILES
C1=C(C(=CC(=C1O)C=O)O)C=O
InChI
InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H
InChIKey
PIWMYUGNZBJTID-UHFFFAOYSA-N
Compound name
2,5-dihydroxyterephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

166.02661 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03389 130.8
[M+Na]+ 189.01583 143.2
[M+NH4]+ 184.06043 137.6
[M+K]+ 204.98977 138.5
[M-H]- 165.01933 130.8
[M+Na-2H]- 187.00128 135.9
[M]+ 166.02606 132.3
[M]- 166.02716 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe