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 141.4
[M+Na]+ 254.97913 153.5
[M-H]- 230.98263 146.8
[M+NH4]+ 250.02373 163.3
[M+K]+ 270.95307 143.0
[M+H-H2O]+ 214.98717 141.0
[M+HCOO]- 276.98811 161.6
[M+CH3COO]- 291.00376 189.3
[M+Na-2H]- 252.96458 147.3
[M]+ 231.98936 160.2
[M]- 231.99046 160.2
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.