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

91
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 118.7
[M+Na]+ 166.96818 128.1
[M-H]- 142.97168 115.7
[M+NH4]+ 162.01278 140.4
[M+K]+ 182.94212 125.9
[M+H-H2O]+ 126.97622 114.8
[M+HCOO]- 188.97716 133.7
[M+CH3COO]- 202.99281 168.9
[M+Na-2H]- 164.95363 125.0
[M]+ 143.97841 117.4
[M]- 143.97951 117.4
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