CID 95436

2-phenoxypropionyl chloride

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CC(C(=O)Cl)OC1=CC=CC=C1
InChI
InChI=1S/C9H9ClO2/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
BDSSZTXPZHIYHM-UHFFFAOYSA-N
Compound name
2-phenoxypropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1334
Patents

184.02911 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.8
[M+Na]+ 207.01833 142.8
[M-H]- 183.02183 138.4
[M+NH4]+ 202.06293 155.3
[M+K]+ 222.99227 140.2
[M+H-H2O]+ 167.02637 130.1
[M+HCOO]- 229.02731 153.6
[M+CH3COO]- 243.04296 180.0
[M+Na-2H]- 205.00378 140.2
[M]+ 184.02856 137.7
[M]- 184.02966 137.7
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