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]+ 230.981536 138.9
[M+Na]+ 252.963478 153.0
[M-H]- 228.966984 148.1
[M+NH4]+ 248.008083 156.4
[M+K]+ 268.937418 141.8
[M+H-H2O]+ 212.971520 137.7
[M+HCOO]- 274.972461 160.7
[M+CH3COO]- 288.988111 190.1
[M+Na-2H]- 250.948926 146.5
[M]+ 229.97371142 158.6
[M]- 229.97480858 158.6
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