CID 64508939

1341420-26-5

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]+ 261.00850 153.2
[M+Na]+ 282.99044 165.1
[M-H]- 258.99394 160.1
[M+NH4]+ 278.03504 175.7
[M+K]+ 298.96438 153.2
[M+H-H2O]+ 242.99848 152.0
[M+HCOO]- 304.99942 172.0
[M+CH3COO]- 319.01507 192.4
[M+Na-2H]- 280.97589 155.7
[M]+ 260.00067 166.9
[M]- 260.00177 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.