CID 107691682

4-(bromomethyl)-1-ethoxy-2-fluorobenzene

Structural Information

Molecular Formula
C9H10BrFO
SMILES
CCOC1=C(C=C(C=C1)CBr)F
InChI
InChI=1S/C9H10BrFO/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-5H,2,6H2,1H3
InChIKey
NWEUGARUWMUUML-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-ethoxy-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98991 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99719 140.8
[M+Na]+ 254.97913 153.2
[M-H]- 230.98263 146.2
[M+NH4]+ 250.02373 162.9
[M+K]+ 270.95307 142.4
[M+H-H2O]+ 214.98717 140.4
[M+HCOO]- 276.98811 162.0
[M+CH3COO]- 291.00376 188.5
[M+Na-2H]- 252.96458 148.0
[M]+ 231.98936 160.3
[M]- 231.99046 160.3
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.