CID 84671201

2-bromo-1-ethyl-3-fluorobenzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
CCC1=C(C(=CC=C1)F)Br
InChI
InChI=1S/C8H8BrF/c1-2-6-4-3-5-7(10)8(6)9/h3-5H,2H2,1H3
InChIKey
YPCVKNZKNATPRC-UHFFFAOYSA-N
Compound name
2-bromo-1-ethyl-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

201.97934 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.986616 133.0
[M+Na]+ 224.968558 145.9
[M-H]- 200.972064 138.7
[M+NH4]+ 220.013163 156.3
[M+K]+ 240.942498 134.9
[M+H-H2O]+ 184.976600 133.1
[M+HCOO]- 246.977541 154.4
[M+CH3COO]- 260.993191 183.9
[M+Na-2H]- 222.954006 140.8
[M]+ 201.97879142 150.8
[M]- 201.97988858 150.8
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