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]+ 155.031446 127.0
[M+Na]+ 177.013388 135.3
[M-H]- 153.016894 126.5
[M+NH4]+ 172.057993 144.7
[M+K]+ 192.987328 136.9
[M+H-H2O]+ 137.021430 117.9
[M+HCOO]- 199.022371 144.4
[M+CH3COO]- 213.038021 175.8
[M+Na-2H]- 174.998836 132.2
[M]+ 154.02362142 130.8
[M]- 154.02471858 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.