CID 74061

1450-74-4

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC(=O)C1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey
XTGCUDZCCIRWHL-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

740
Patents

170.01346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.020736 129.1
[M+Na]+ 193.002678 139.3
[M-H]- 169.006184 132.2
[M+NH4]+ 188.047283 150.3
[M+K]+ 208.976618 135.7
[M+H-H2O]+ 153.010720 125.4
[M+HCOO]- 215.011661 147.8
[M+CH3COO]- 229.027311 175.8
[M+Na-2H]- 190.988126 134.5
[M]+ 170.01291142 131.2
[M]- 170.01400858 131.2
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