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]+ 228.96588 134.4
[M+Na]+ 250.94782 149.2
[M-H]- 226.95132 137.3
[M+NH4]+ 245.99242 154.1
[M+K]+ 266.92176 137.0
[M+H-H2O]+ 210.95586 128.2
[M+HCOO]- 272.95680 152.6
[M+CH3COO]- 286.97245 194.5
[M+Na-2H]- 248.93327 140.9
[M]+ 227.95805 146.3
[M]- 227.95915 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.