CID 21891684

91319-42-5

Structural Information

Molecular Formula
C8H8BrFO
SMILES
COC1=CC(=C(C=C1)F)CBr
InChI
InChI=1S/C8H8BrFO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChIKey
RVKBNYVMMMWWOA-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

217.97426 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 136.1
[M+Na]+ 240.96348 148.9
[M-H]- 216.96698 141.7
[M+NH4]+ 236.00808 158.7
[M+K]+ 256.93742 138.3
[M+H-H2O]+ 200.97152 135.9
[M+HCOO]- 262.97246 157.6
[M+CH3COO]- 276.98811 185.7
[M+Na-2H]- 238.94893 143.8
[M]+ 217.97371 155.2
[M]- 217.97481 155.2
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

patents stripe