CID 155820105

1,1-bis(bromomethyl)-3-fluorocyclobutane

Structural Information

Molecular Formula
C6H9Br2F
SMILES
C1C(CC1(CBr)CBr)F
InChI
InChI=1S/C6H9Br2F/c7-3-6(4-8)1-5(9)2-6/h5H,1-4H2
InChIKey
CQSBJFPPMXRKRW-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)-3-fluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.912776 123.4
[M+Na]+ 280.894718 133.9
[M-H]- 256.898224 129.5
[M+NH4]+ 275.939323 140.8
[M+K]+ 296.868658 121.4
[M+H-H2O]+ 240.902760 129.1
[M+HCOO]- 302.903701 138.0
[M+CH3COO]- 316.919351 200.5
[M+Na-2H]- 278.880166 131.9
[M]+ 257.90495142 161.5
[M]- 257.90604858 161.5
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.