CID 67987988

1-bromo-4-cyclopropoxy-2-fluorobenzene

Structural Information

Molecular Formula
C9H8BrFO
SMILES
C1CC1OC2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrFO/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2
InChIKey
CISWWHKALFFKPB-UHFFFAOYSA-N
Compound name
1-bromo-4-cyclopropyloxy-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

229.97426 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 136.2
[M+Na]+ 252.96348 141.4
[M+NH4]+ 248.00808 142.1
[M+K]+ 268.93742 141.9
[M-H]- 228.96698 143.0
[M+Na-2H]- 250.94893 143.2
[M]+ 229.97371 138.7
[M]- 229.97481 138.7
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