CID 221505

((3-chloropropoxy)methyl)benzene

Structural Information

Molecular Formula
C10H13ClO
SMILES
C1=CC=C(C=C1)COCCCCl
InChI
InChI=1S/C10H13ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
XYQPOKBAQDQMQP-UHFFFAOYSA-N
Compound name
3-chloropropoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

184.06549 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.7
[M+Na]+ 207.05471 145.5
[M-H]- 183.05821 140.9
[M+NH4]+ 202.09931 158.5
[M+K]+ 223.02865 141.9
[M+H-H2O]+ 167.06275 132.7
[M+HCOO]- 229.06369 157.7
[M+CH3COO]- 243.07934 180.4
[M+Na-2H]- 205.04016 145.0
[M]+ 184.06494 141.4
[M]- 184.06604 141.4
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