CID 2404811

1-[3-(chloromethyl)-4-hydroxyphenyl]ethanone

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CC(=O)C1=CC(=C(C=C1)O)CCl
InChI
InChI=1S/C9H9ClO2/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-4,12H,5H2,1H3
InChIKey
LAMHAMBOLINJML-UHFFFAOYSA-N
Compound name
1-[3-(chloromethyl)-4-hydroxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

184.02911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 133.9
[M+Na]+ 207.018328 143.6
[M-H]- 183.021834 136.8
[M+NH4]+ 202.062933 154.5
[M+K]+ 222.992268 139.8
[M+H-H2O]+ 167.026370 130.0
[M+HCOO]- 229.027311 152.2
[M+CH3COO]- 243.042961 178.8
[M+Na-2H]- 205.003776 138.7
[M]+ 184.02856142 136.3
[M]- 184.02965858 136.3
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