CID 165767646

2411296-56-3

Structural Information

Molecular Formula
C7H8F2O2
SMILES
CC12CC(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c1-5-2-6(3-5,4(10)11)7(5,8)9/h2-3H2,1H3,(H,10,11)
InChIKey
RTZFDDBSRPQHOX-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05652 158.0
[M+Na]+ 185.03846 163.7
[M-H]- 161.04196 159.3
[M+NH4]+ 180.08306 165.8
[M+K]+ 201.01240 168.0
[M+H-H2O]+ 145.04650 146.5
[M+HCOO]- 207.04744 168.3
[M+CH3COO]- 221.06309 205.3
[M+Na-2H]- 183.02391 163.1
[M]+ 162.04869 180.8
[M]- 162.04979 180.8
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.