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

2
Patents

162.04924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.056516 158.0
[M+Na]+ 185.038458 163.7
[M-H]- 161.041964 159.3
[M+NH4]+ 180.083063 165.8
[M+K]+ 201.012398 168.0
[M+H-H2O]+ 145.046500 146.5
[M+HCOO]- 207.047441 168.3
[M+CH3COO]- 221.063091 205.3
[M+Na-2H]- 183.023906 163.1
[M]+ 162.04869142 180.8
[M]- 162.04978858 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

patents stripe