CID 135393349

1,3,3-trifluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H5F3O2
SMILES
C1C(CC1(F)F)(C(=O)O)F
InChI
InChI=1S/C5H5F3O2/c6-4(3(9)10)1-5(7,8)2-4/h1-2H2,(H,9,10)
InChIKey
UPCMGSMQEVWULP-UHFFFAOYSA-N
Compound name
1,3,3-trifluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.02417 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03145 127.0
[M+Na]+ 177.01339 135.3
[M-H]- 153.01689 126.5
[M+NH4]+ 172.05799 144.7
[M+K]+ 192.98733 136.9
[M+H-H2O]+ 137.02143 117.9
[M+HCOO]- 199.02237 144.4
[M+CH3COO]- 213.03802 175.8
[M+Na-2H]- 174.99884 132.2
[M]+ 154.02362 130.8
[M]- 154.02472 130.8
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

No patent data available for this compound.