CID 2774553

4-(bromomethyl)-2-fluoro-1-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
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

literature stripe

Patent stripe

patents stripe