CID 65204026

1-bromo-2-fluoro-4-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H6BrFO
SMILES
C#CCOC1=CC(=C(C=C1)Br)F
InChI
InChI=1S/C9H6BrFO/c1-2-5-12-7-3-4-8(10)9(11)6-7/h1,3-4,6H,5H2
InChIKey
HOAKXHFXGZXIFR-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.9586 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.965876 134.4
[M+Na]+ 250.947818 149.2
[M-H]- 226.951324 137.3
[M+NH4]+ 245.992423 154.1
[M+K]+ 266.921758 137.0
[M+H-H2O]+ 210.955860 128.2
[M+HCOO]- 272.956801 152.6
[M+CH3COO]- 286.972451 194.5
[M+Na-2H]- 248.933266 140.9
[M]+ 227.95805142 146.3
[M]- 227.95914858 146.3
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

No patent data available for this compound.