CID 165587358

2763588-82-3

Structural Information

Molecular Formula
C5H6F2O3
SMILES
C([C@@H]1[C@H](C1(F)F)C(=O)O)O
InChI
InChI=1S/C5H6F2O3/c6-5(7)2(1-8)3(5)4(9)10/h2-3,8H,1H2,(H,9,10)/t2-,3+/m1/s1
InChIKey
RRRNPZHBPGIYEK-GBXIJSLDSA-N
Compound name
(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0285 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03578 121.4
[M+Na]+ 175.01772 132.6
[M-H]- 151.02122 122.0
[M+NH4]+ 170.06232 138.6
[M+K]+ 190.99166 130.2
[M+H-H2O]+ 135.02576 116.5
[M+HCOO]- 197.02670 140.3
[M+CH3COO]- 211.04235 174.4
[M+Na-2H]- 173.00317 126.5
[M]+ 152.02795 121.9
[M]- 152.02905 121.9
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.