CID 22572613

2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H4F4O2
SMILES
C1C(C(C1(F)F)(F)F)C(=O)O
InChI
InChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11)
InChIKey
YPIGSOZDUWOJQG-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

172.01474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02202 129.2
[M+Na]+ 195.00396 138.4
[M-H]- 171.00746 127.7
[M+NH4]+ 190.04856 146.4
[M+K]+ 210.97790 139.5
[M+H-H2O]+ 155.01200 119.5
[M+HCOO]- 217.01294 145.5
[M+CH3COO]- 231.02859 179.7
[M+Na-2H]- 192.98941 133.2
[M]+ 172.01419 132.1
[M]- 172.01529 132.1
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