CID 359

Phloroglucinol

Structural Information

Molecular Formula
C6H6O3
SMILES
C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKey
QCDYQQDYXPDABM-UHFFFAOYSA-N
Compound name
benzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2254
References

64002
Patents

126.03169 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03897 120.4
[M+Na]+ 149.02091 129.7
[M-H]- 125.02441 121.1
[M+NH4]+ 144.06551 141.1
[M+K]+ 164.99485 127.4
[M+H-H2O]+ 109.02895 116.2
[M+HCOO]- 171.02989 142.2
[M+CH3COO]- 185.04554 162.8
[M+Na-2H]- 147.00636 127.4
[M]+ 126.03114 118.8
[M]- 126.03224 118.8
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.