CID 69671

2-chloro-1,4-benzoquinone

Structural Information

Molecular Formula
C6H3ClO2
SMILES
C1=CC(=O)C(=CC1=O)Cl
InChI
InChI=1S/C6H3ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey
WOGWYSWDBYCVDY-UHFFFAOYSA-N
Compound name
2-chlorocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

2948
Patents

141.98216 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.98944 119.8
[M+Na]+ 164.97138 130.7
[M-H]- 140.97488 124.2
[M+NH4]+ 160.01598 142.6
[M+K]+ 180.94532 127.7
[M+H-H2O]+ 124.97942 116.1
[M+HCOO]- 186.98036 140.2
[M+CH3COO]- 200.99601 171.0
[M+Na-2H]- 162.95683 127.0
[M]+ 141.98161 121.4
[M]- 141.98271 121.4
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