CID 129244217

2-(bromomethyl)-1-ethyl-3-fluorobenzene

Structural Information

Molecular Formula
C9H10BrF
SMILES
CCC1=C(C(=CC=C1)F)CBr
InChI
InChI=1S/C9H10BrF/c1-2-7-4-3-5-9(11)8(7)6-10/h3-5H,2,6H2,1H3
InChIKey
TZNAOGJLJUWREG-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-ethyl-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00228 140.3
[M+Na]+ 238.98422 144.4
[M+NH4]+ 234.02882 145.7
[M+K]+ 254.95816 142.8
[M-H]- 214.98772 140.7
[M+Na-2H]- 236.96967 144.2
[M]+ 215.99445 139.9
[M]- 215.99555 139.9
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