CID 7213

2,4-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H6O3
SMILES
C1=CC(=C(C=C1O)O)C=O
InChI
InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H
InChIKey
IUNJCFABHJZSKB-UHFFFAOYSA-N
Compound name
2,4-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

46
References

6523
Patents

138.0317 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.038976 122.8
[M+Na]+ 161.020918 132.4
[M-H]- 137.024424 124.7
[M+NH4]+ 156.065523 143.6
[M+K]+ 176.994858 130.1
[M+H-H2O]+ 121.028960 118.3
[M+HCOO]- 183.029901 146.0
[M+CH3COO]- 197.045551 167.5
[M+Na-2H]- 159.006366 129.9
[M]+ 138.03115142 122.7
[M]- 138.03224858 122.7
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