CID 17245119

90110-32-0

Structural Information

Molecular Formula
C8H7ClO3
SMILES
CC(=O)C1=CC(=C(C=C1O)O)Cl
InChI
InChI=1S/C8H7ClO3/c1-4(10)5-2-6(9)8(12)3-7(5)11/h2-3,11-12H,1H3
InChIKey
CVJQCEUAIVQCDK-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

186.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 131.9
[M+Na]+ 208.997598 142.5
[M-H]- 185.001104 134.0
[M+NH4]+ 204.042203 151.9
[M+K]+ 224.971538 138.6
[M+H-H2O]+ 169.005640 128.6
[M+HCOO]- 231.006581 149.3
[M+CH3COO]- 245.022231 176.6
[M+Na-2H]- 206.983046 136.2
[M]+ 186.00783142 134.0
[M]- 186.00892858 134.0
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