CID 64508939

4-(3-bromocyclopentyl)-1,2-difluorobenzene

Structural Information

Molecular Formula
C11H11BrF2
SMILES
C1CC(CC1C2=CC(=C(C=C2)F)F)Br
InChI
InChI=1S/C11H11BrF2/c12-9-3-1-7(5-9)8-2-4-10(13)11(14)6-8/h2,4,6-7,9H,1,3,5H2
InChIKey
JBRPZPLEJWVNJH-UHFFFAOYSA-N
Compound name
4-(3-bromocyclopentyl)-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.008496 153.2
[M+Na]+ 282.990438 165.1
[M-H]- 258.993944 160.1
[M+NH4]+ 278.035043 175.7
[M+K]+ 298.964378 153.2
[M+H-H2O]+ 242.998480 152.0
[M+HCOO]- 304.999421 172.0
[M+CH3COO]- 319.015071 192.4
[M+Na-2H]- 280.975886 155.7
[M]+ 260.00067142 166.9
[M]- 260.00176858 166.9
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

No patent data available for this compound.