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

13
Patents

265.95093 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95821 145.4
[M+Na]+ 288.94015 158.8
[M-H]- 264.94365 150.6
[M+NH4]+ 283.98475 167.0
[M+K]+ 304.91409 145.9
[M+H-H2O]+ 248.94819 145.7
[M+HCOO]- 310.94913 162.3
[M+CH3COO]- 324.96478 192.1
[M+Na-2H]- 286.92560 152.2
[M]+ 265.95038 166.7
[M]- 265.95148 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