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
cis-(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]+ 153.035776 121.4
[M+Na]+ 175.017718 132.6
[M-H]- 151.021224 122.0
[M+NH4]+ 170.062323 138.6
[M+K]+ 190.991658 130.2
[M+H-H2O]+ 135.025760 116.5
[M+HCOO]- 197.026701 140.3
[M+CH3COO]- 211.042351 174.4
[M+Na-2H]- 173.003166 126.5
[M]+ 152.02795142 121.9
[M]- 152.02904858 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.