CID 22913572

4-bromo-1-(3-chloropropoxy)-2-fluorobenzene

Structural Information

Molecular Formula
C9H9BrClFO
SMILES
C1=CC(=C(C=C1Br)F)OCCCCl
InChI
InChI=1S/C9H9BrClFO/c10-7-2-3-9(8(12)6-7)13-5-1-4-11/h2-3,6H,1,4-5H2
InChIKey
FFBJQCMHFQLWNN-UHFFFAOYSA-N
Compound name
4-bromo-1-(3-chloropropoxy)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

265.95093 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.958206 145.4
[M+Na]+ 288.940148 158.8
[M-H]- 264.943654 150.6
[M+NH4]+ 283.984753 167.0
[M+K]+ 304.914088 145.9
[M+H-H2O]+ 248.948190 145.7
[M+HCOO]- 310.949131 162.3
[M+CH3COO]- 324.964781 192.1
[M+Na-2H]- 286.925596 152.2
[M]+ 265.95038142 166.7
[M]- 265.95147858 166.7
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