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]+ 232.997186 141.4
[M+Na]+ 254.979128 153.5
[M-H]- 230.982634 146.8
[M+NH4]+ 250.023733 163.3
[M+K]+ 270.953068 143.0
[M+H-H2O]+ 214.987170 141.0
[M+HCOO]- 276.988111 161.6
[M+CH3COO]- 291.003761 189.3
[M+Na-2H]- 252.964576 147.3
[M]+ 231.98936142 160.2
[M]- 231.99045858 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.