CID 165948864

5-(bromomethyl)-1,1-difluoro-5-methylspiro[2.3]hexane

Structural Information

Molecular Formula
C8H11BrF2
SMILES
CC1(CC2(C1)CC2(F)F)CBr
InChI
InChI=1S/C8H11BrF2/c1-6(5-9)2-7(3-6)4-8(7,10)11/h2-5H2,1H3
InChIKey
WRJQSHDFFPZULN-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2,2-difluoro-5-methylspiro[2.3]hexane
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 133.7
[M+Na]+ 246.99044 147.4
[M-H]- 222.99394 141.7
[M+NH4]+ 242.03504 151.4
[M+K]+ 262.96438 140.7
[M+H-H2O]+ 206.99848 132.5
[M+HCOO]- 268.99942 150.8
[M+CH3COO]- 283.01507 192.4
[M+Na-2H]- 244.97589 143.1
[M]+ 224.00067 159.4
[M]- 224.00177 159.4
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.