CID 21804906

3-chloro-3,3-difluoropropanoic acid

Structural Information

Molecular Formula
C3H3ClF2O2
SMILES
C(C(=O)O)C(F)(F)Cl
InChI
InChI=1S/C3H3ClF2O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)
InChIKey
IXGFPBMPFILZEP-UHFFFAOYSA-N
Compound name
3-chloro-3,3-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

143.97896 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.98624 122.4
[M+Na]+ 166.96818 131.0
[M+NH4]+ 162.01278 128.5
[M+K]+ 182.94212 127.6
[M-H]- 142.97168 117.4
[M+Na-2H]- 164.95363 124.8
[M]+ 143.97841 122.1
[M]- 143.97951 122.1
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