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]+ 163.056516 151.5
[M+Na]+ 185.038458 155.2
[M-H]- 161.041964 151.8
[M+NH4]+ 180.083063 156.0
[M+K]+ 201.012398 161.0
[M+H-H2O]+ 145.046500 137.3
[M+HCOO]- 207.047441 160.9
[M+CH3COO]- 221.063091 204.9
[M+Na-2H]- 183.023906 156.7
[M]+ 162.04869142 173.2
[M]- 162.04978858 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.