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]+ 258.91278 123.4
[M+Na]+ 280.89472 133.9
[M-H]- 256.89822 129.5
[M+NH4]+ 275.93932 140.8
[M+K]+ 296.86866 121.4
[M+H-H2O]+ 240.90276 129.1
[M+HCOO]- 302.90370 138.0
[M+CH3COO]- 316.91935 200.5
[M+Na-2H]- 278.88017 131.9
[M]+ 257.90495 161.5
[M]- 257.90605 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.