CID 66834

2-chloro-3',4'-dihydroxyacetophenone

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1=CC(=C(C=C1C(=O)CCl)O)O
InChI
InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
InChIKey
LWTJEJCZJFZKEL-UHFFFAOYSA-N
Compound name
2-chloro-1-(3,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

520
Patents

186.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 132.7
[M+Na]+ 208.99760 142.3
[M-H]- 185.00110 134.4
[M+NH4]+ 204.04220 152.4
[M+K]+ 224.97154 138.4
[M+H-H2O]+ 169.00564 129.0
[M+HCOO]- 231.00658 150.1
[M+CH3COO]- 245.02223 175.3
[M+Na-2H]- 206.98305 137.6
[M]+ 186.00783 134.3
[M]- 186.00893 134.3
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