CID 69213

2,5-dihydroxy-1,4-benzoquinone

Structural Information

Molecular Formula
C6H4O4
SMILES
C1=C(C(=O)C=C(C1=O)O)O
InChI
InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H
InChIKey
QFSYADJLNBHAKO-UHFFFAOYSA-N
Compound name
2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1656
Patents

140.01096 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01824 120.7
[M+Na]+ 163.00018 130.8
[M-H]- 139.00368 122.8
[M+NH4]+ 158.04478 141.5
[M+K]+ 178.97412 129.0
[M+H-H2O]+ 123.00822 116.5
[M+HCOO]- 185.00916 143.1
[M+CH3COO]- 199.02481 167.4
[M+Na-2H]- 160.98563 126.7
[M]+ 140.01041 120.0
[M]- 140.01151 120.0
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