CID 21407681

2-chloro-2,3,3-trifluorocyclobutane-1-carboxylicacid

Structural Information

Molecular Formula
C5H4ClF3O2
SMILES
C1C(C(C1(F)F)(F)Cl)C(=O)O
InChI
InChI=1S/C5H4ClF3O2/c6-5(9)2(3(10)11)1-4(5,7)8/h2H,1H2,(H,10,11)
InChIKey
MLQNCNDTDPPQQE-UHFFFAOYSA-N
Compound name
2-chloro-2,3,3-trifluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

187.9852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99248 125.9
[M+Na]+ 210.97442 136.1
[M-H]- 186.97792 125.6
[M+NH4]+ 206.01902 143.6
[M+K]+ 226.94836 135.4
[M+H-H2O]+ 170.98246 118.4
[M+HCOO]- 232.98340 139.3
[M+CH3COO]- 246.99905 180.7
[M+Na-2H]- 208.95987 130.8
[M]+ 187.98465 132.0
[M]- 187.98575 132.0
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