CID 65811454

29765-49-9

Structural Information

Molecular Formula
C12H11F3O3
SMILES
C1CC1(CC2=CC=C(C=C2)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C12H11F3O3/c13-12(14,15)18-9-3-1-8(2-4-9)7-11(5-6-11)10(16)17/h1-4H,5-7H2,(H,16,17)
InChIKey
FTWOJOXFIDZHRY-UHFFFAOYSA-N
Compound name
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07332 147.6
[M+Na]+ 283.05526 157.1
[M-H]- 259.05876 150.3
[M+NH4]+ 278.09986 160.8
[M+K]+ 299.02920 154.1
[M+H-H2O]+ 243.06330 139.9
[M+HCOO]- 305.06424 165.1
[M+CH3COO]- 319.07989 193.7
[M+Na-2H]- 281.04071 152.9
[M]+ 260.06549 147.9
[M]- 260.06659 147.9
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.