CID 785

Hydroquinone

Structural Information

Molecular Formula
C6H6O2
SMILES
C1=CC(=CC=C1O)O
InChI
InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKey
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Compound name
benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

3655
References

197102
Patents

110.03678 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe