CID 10932441

15893-42-2

Structural Information

Molecular Formula
C10H11ClO2
SMILES
COC1=CC=C(C=C1)CCC(=O)Cl
InChI
InChI=1S/C10H11ClO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3
InChIKey
FQVJPHCAWYRYCK-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)propanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

198.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 138.9
[M+Na]+ 221.03397 147.7
[M-H]- 197.03747 142.6
[M+NH4]+ 216.07857 159.3
[M+K]+ 237.00791 144.4
[M+H-H2O]+ 181.04201 134.1
[M+HCOO]- 243.04295 158.3
[M+CH3COO]- 257.05860 183.3
[M+Na-2H]- 219.01942 144.3
[M]+ 198.04420 143.2
[M]- 198.04530 143.2
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