CID 5054

Resorcinol

Structural Information

Molecular Formula
C6H6O2
SMILES
C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey
GHMLBKRAJCXXBS-UHFFFAOYSA-N
Compound name
benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1226
References

59477
Patents

110.03678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.04406 117.0
[M+Na]+ 133.02600 125.8
[M-H]- 109.02950 118.7
[M+NH4]+ 128.07060 138.8
[M+K]+ 148.99994 123.9
[M+H-H2O]+ 93.034040 112.7
[M+HCOO]- 155.03498 140.1
[M+CH3COO]- 169.05063 162.1
[M+Na-2H]- 131.01145 125.3
[M]+ 110.03623 115.4
[M]- 110.03733 115.4
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.