CID 52333029

3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C12H11F3O2
SMILES
C1C(CC1C(=O)O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H11F3O2/c13-12(14,15)10-3-1-7(2-4-10)8-5-9(6-8)11(16)17/h1-4,8-9H,5-6H2,(H,16,17)
InChIKey
FAIXZJSJPCRBSS-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07112 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07840 149.8
[M+Na]+ 267.06034 156.3
[M-H]- 243.06384 151.4
[M+NH4]+ 262.10494 160.1
[M+K]+ 283.03428 155.9
[M+H-H2O]+ 227.06838 136.5
[M+HCOO]- 289.06932 165.0
[M+CH3COO]- 303.08497 193.2
[M+Na-2H]- 265.04579 151.7
[M]+ 244.07057 152.9
[M]- 244.07167 152.9
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

No patent data available for this compound.