CID 130895622

1-(1-bromoethyl)-2-fluoro-3-methoxybenzene

Structural Information

Molecular Formula
C9H10BrFO
SMILES
CC(C1=C(C(=CC=C1)OC)F)Br
InChI
InChI=1S/C9H10BrFO/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-6H,1-2H3
InChIKey
AJPZZNBRNPSZNP-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-2-fluoro-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99719 142.5
[M+Na]+ 254.97913 146.0
[M+NH4]+ 250.02373 147.4
[M+K]+ 270.95307 145.6
[M-H]- 230.98263 142.3
[M+Na-2H]- 252.96458 145.8
[M]+ 231.98936 141.8
[M]- 231.99046 141.8
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.