CID 138040284

2247105-60-6

Structural Information

Molecular Formula
C9H13BrF2
SMILES
C1CC2(CCC1CBr)CC2(F)F
InChI
InChI=1S/C9H13BrF2/c10-5-7-1-3-8(4-2-7)6-9(8,11)12/h7H,1-6H2
InChIKey
KQEKJEMTTXZKCN-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2,2-difluorospiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02416 145.4
[M+Na]+ 261.00610 157.9
[M-H]- 237.00960 152.1
[M+NH4]+ 256.05070 166.1
[M+K]+ 276.98004 148.1
[M+H-H2O]+ 221.01414 145.5
[M+HCOO]- 283.01508 161.3
[M+CH3COO]- 297.03073 190.5
[M+Na-2H]- 258.99155 152.5
[M]+ 238.01633 160.2
[M]- 238.01743 160.2
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.