CID 146081997

2408971-36-6

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1C2CC1(C2)C(C(=O)O)(F)F
InChI
InChI=1S/C7H8F2O2/c8-7(9,5(10)11)6-1-4(2-6)3-6/h4H,1-3H2,(H,10,11)
InChIKey
PZZRZPKOTHLOPY-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[1.1.1]pentanyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05652 151.5
[M+Na]+ 185.03846 155.2
[M-H]- 161.04196 151.8
[M+NH4]+ 180.08306 156.0
[M+K]+ 201.01240 161.0
[M+H-H2O]+ 145.04650 137.3
[M+HCOO]- 207.04744 160.9
[M+CH3COO]- 221.06309 204.9
[M+Na-2H]- 183.02391 156.7
[M]+ 162.04869 173.2
[M]- 162.04979 173.2
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.