CID 95241077

2247657-28-7

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C[C@@H]1[C@H](C1(F)F)C(=O)O
InChI
InChI=1S/C5H6F2O2/c1-2-3(4(8)9)5(2,6)7/h2-3H,1H3,(H,8,9)/t2-,3+/m1/s1
InChIKey
AVEOEYKDGIQSBO-GBXIJSLDSA-N
Compound name
cis-(1S,3R)-2,2-difluoro-3-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.040856 118.4
[M+Na]+ 159.022798 130.0
[M-H]- 135.026304 120.4
[M+NH4]+ 154.067403 137.0
[M+K]+ 174.996738 128.3
[M+H-H2O]+ 119.030840 113.3
[M+HCOO]- 181.031781 138.6
[M+CH3COO]- 195.047431 174.9
[M+Na-2H]- 157.008246 123.9
[M]+ 136.03303142 119.2
[M]- 136.03412858 119.2
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.