CID 3018222

1-(3-chloropropoxy)-2-fluorobenzene

Structural Information

Molecular Formula
C9H10ClFO
SMILES
C1=CC=C(C(=C1)OCCCCl)F
InChI
InChI=1S/C9H10ClFO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2
InChIKey
KNJPVCXGHKZYQE-UHFFFAOYSA-N
Compound name
1-(3-chloropropoxy)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

188.04042 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04770 134.7
[M+Na]+ 211.02964 143.9
[M-H]- 187.03314 136.9
[M+NH4]+ 206.07424 155.5
[M+K]+ 227.00358 140.1
[M+H-H2O]+ 171.03768 129.1
[M+HCOO]- 233.03862 153.9
[M+CH3COO]- 247.05427 181.1
[M+Na-2H]- 209.01509 141.3
[M]+ 188.03987 137.3
[M]- 188.04097 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe