CID 83854694

2-cyclopropyl-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C1CC1C(C(=O)O)(F)F
InChI
InChI=1S/C5H6F2O2/c6-5(7,4(8)9)3-1-2-3/h3H,1-2H2,(H,8,9)
InChIKey
ACYULLZJZXDWRB-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

136.03358 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.040856 119.4
[M+Na]+ 159.022798 128.9
[M-H]- 135.026304 120.5
[M+NH4]+ 154.067403 135.5
[M+K]+ 174.996738 126.8
[M+H-H2O]+ 119.030840 112.9
[M+HCOO]- 181.031781 138.5
[M+CH3COO]- 195.047431 173.3
[M+Na-2H]- 157.008246 125.6
[M]+ 136.03303142 118.4
[M]- 136.03412858 118.4
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