CID 70949

2,5-dihydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

46
References

3394
Patents

138.0317 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03898 122.8
[M+Na]+ 161.02092 132.4
[M-H]- 137.02442 124.7
[M+NH4]+ 156.06552 143.6
[M+K]+ 176.99486 130.1
[M+H-H2O]+ 121.02896 118.3
[M+HCOO]- 183.02990 146.0
[M+CH3COO]- 197.04555 167.5
[M+Na-2H]- 159.00637 129.9
[M]+ 138.03115 122.7
[M]- 138.03225 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