CID 301

Chlorohydroquinone

Structural Information

Molecular Formula
C6H5ClO2
SMILES
C1=CC(=C(C=C1O)Cl)O
InChI
InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey
AJPXTSMULZANCB-UHFFFAOYSA-N
Compound name
2-chlorobenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

25
References

9666
Patents

143.9978 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00508 122.0
[M+Na]+ 166.98702 136.2
[M+NH4]+ 162.03162 131.2
[M+K]+ 182.96096 130.1
[M-H]- 142.99052 123.7
[M+Na-2H]- 164.97247 129.3
[M]+ 143.99725 124.8
[M]- 143.99835 124.8
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