CID 121207571

5-(bromomethyl)-1,1-difluorospiro[2.3]hexane

Structural Information

Molecular Formula
C7H9BrF2
SMILES
C1C(CC12CC2(F)F)CBr
InChI
InChI=1S/C7H9BrF2/c8-3-5-1-6(2-5)4-7(6,9)10/h5H,1-4H2
InChIKey
SNNLQVNCIURNSI-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2,2-difluorospiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.98557 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99285 129.2
[M+Na]+ 232.97479 142.7
[M-H]- 208.97829 136.9
[M+NH4]+ 228.01939 145.6
[M+K]+ 248.94873 135.5
[M+H-H2O]+ 192.98283 126.6
[M+HCOO]- 254.98377 147.0
[M+CH3COO]- 268.99942 189.8
[M+Na-2H]- 230.96024 138.2
[M]+ 209.98502 154.0
[M]- 209.98612 154.0
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.