CID 137944863

6-(bromomethyl)-2,2-difluorospiro[3.3]heptane

Structural Information

Molecular Formula
C8H11BrF2
SMILES
C1C(CC12CC(C2)(F)F)CBr
InChI
InChI=1S/C8H11BrF2/c9-3-6-1-7(2-6)4-8(10,11)5-7/h6H,1-5H2
InChIKey
SPKGYNMRXNVZQX-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2,2-difluorospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.00122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00850 124.1
[M+Na]+ 246.99044 133.9
[M-H]- 222.99394 130.5
[M+NH4]+ 242.03504 137.5
[M+K]+ 262.96438 129.0
[M+H-H2O]+ 206.99848 118.5
[M+HCOO]- 268.99942 139.6
[M+CH3COO]- 283.01507 197.6
[M+Na-2H]- 244.97589 132.2
[M]+ 224.00067 152.4
[M]- 224.00177 152.4
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.