CID 84723694

1-bromo-3-(1-fluorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C1CC1(C2=CC(=CC=C2)Br)F
InChI
InChI=1S/C9H8BrF/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5H2
InChIKey
ZWAGAJBWSASIFZ-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-fluorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.97934 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.986616 135.5
[M+Na]+ 236.968558 149.5
[M-H]- 212.972064 144.9
[M+NH4]+ 232.013163 155.2
[M+K]+ 252.942498 139.1
[M+H-H2O]+ 196.976600 135.5
[M+HCOO]- 258.977541 157.0
[M+CH3COO]- 272.993191 187.0
[M+Na-2H]- 234.954006 144.8
[M]+ 213.97879142 154.1
[M]- 213.97988858 154.1
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