CID 170914591

2',2'-difluoro-[1,1'-bi(cyclopropane)]-1-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1CC1(C2CC2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)3-4(7)6(1-2-6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKey
ZWZWHVCGRZGLFU-UHFFFAOYSA-N
Compound name
1-(2,2-difluorocyclopropyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.056516 135.8
[M+Na]+ 185.038458 144.3
[M-H]- 161.041964 140.4
[M+NH4]+ 180.083063 147.6
[M+K]+ 201.012398 144.8
[M+H-H2O]+ 145.046500 131.5
[M+HCOO]- 207.047441 151.9
[M+CH3COO]- 221.063091 188.2
[M+Na-2H]- 183.023906 140.0
[M]+ 162.04869142 137.9
[M]- 162.04978858 137.9
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.