CID 54594773

2,2-difluoro-3-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6F2O2
SMILES
CC1C(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)
InChIKey
AVEOEYKDGIQSBO-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

136.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 130.4
[M+Na]+ 159.02280 140.0
[M+NH4]+ 154.06740 138.3
[M+K]+ 174.99674 136.2
[M-H]- 135.02630 134.1
[M+Na-2H]- 157.00825 136.5
[M]+ 136.03303 133.6
[M]- 136.03413 133.6
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