CID 46173720

P-benzosemiquinone

Structural Information

Molecular Formula
C6H5O2
SMILES
C1=CC(=CC=C1O)[O]
InChI
InChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H
InChIKey
XLHUBROMZOAQMV-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

109.02895 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.03623 115.9
[M+Na]+ 132.01817 125.2
[M-H]- 108.02167 119.1
[M+NH4]+ 127.06277 138.5
[M+K]+ 147.99211 124.3
[M+H-H2O]+ 92.026210 111.4
[M+HCOO]- 154.02715 140.6
[M+CH3COO]- 168.04280 164.7
[M+Na-2H]- 130.00362 124.8
[M]+ 109.02840 116.2
[M]- 109.02950 116.2
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.