CID 118061739

3-(trifluoromethoxy)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7F3O3
SMILES
C1C(CC1OC(F)(F)F)C(=O)O
InChI
InChI=1S/C6H7F3O3/c7-6(8,9)12-4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)
InChIKey
MBYACEIXYASETJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

184.03473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.042006 132.7
[M+Na]+ 207.023948 139.0
[M-H]- 183.027454 131.2
[M+NH4]+ 202.068553 145.3
[M+K]+ 222.997888 141.2
[M+H-H2O]+ 167.031990 120.8
[M+HCOO]- 229.032931 148.4
[M+CH3COO]- 243.048581 181.0
[M+Na-2H]- 205.009396 135.9
[M]+ 184.03418142 136.9
[M]- 184.03527858 136.9
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