CID 145912938

3-methoxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9F3O3
SMILES
COC1(CC(C1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H9F3O3/c1-13-6(7(8,9)10)2-4(3-6)5(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKey
PYJRZXZEBIPORU-UHFFFAOYSA-N
Compound name
3-methoxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.05038 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.057656 138.7
[M+Na]+ 221.039598 145.5
[M-H]- 197.043104 137.6
[M+NH4]+ 216.084203 152.8
[M+K]+ 237.013538 147.6
[M+H-H2O]+ 181.047640 128.3
[M+HCOO]- 243.048581 154.1
[M+CH3COO]- 257.064231 183.5
[M+Na-2H]- 219.025046 142.6
[M]+ 198.04983142 143.6
[M]- 198.05092858 143.6
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