CID 162341501

2374230-65-4

Structural Information

Molecular Formula
C9H11BrF2O2
SMILES
CCOC(=O)C(C12CC(C1)(C2)Br)(F)F
InChI
InChI=1S/C9H11BrF2O2/c1-2-14-6(13)9(11,12)7-3-8(10,4-7)5-7/h2-5H2,1H3
InChIKey
IMSHADVTEHBWRJ-UHFFFAOYSA-N
Compound name
ethyl 2-(3-bromo-1-bicyclo[1.1.1]pentanyl)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.99106 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99834 154.5
[M+Na]+ 290.98028 161.2
[M-H]- 266.98378 158.0
[M+NH4]+ 286.02488 161.4
[M+K]+ 306.95422 159.9
[M+H-H2O]+ 250.98832 146.8
[M+HCOO]- 312.98926 163.5
[M+CH3COO]- 327.00491 217.1
[M+Na-2H]- 288.96573 161.7
[M]+ 267.99051 190.4
[M]- 267.99161 190.4
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.