CID 65811455

29765-48-8

Structural Information

Molecular Formula
C12H11F3O2
SMILES
C1CC1(CC2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C12H11F3O2/c13-12(14,15)9-3-1-8(2-4-9)7-11(5-6-11)10(16)17/h1-4H,5-7H2,(H,16,17)
InChIKey
IVZCJCNCVMKKLC-UHFFFAOYSA-N
Compound name
1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-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 143.8
[M+Na]+ 267.06034 153.4
[M-H]- 243.06384 146.5
[M+NH4]+ 262.10494 157.6
[M+K]+ 283.03428 150.0
[M+H-H2O]+ 227.06838 136.2
[M+HCOO]- 289.06932 161.1
[M+CH3COO]- 303.08497 191.8
[M+Na-2H]- 265.04579 149.0
[M]+ 244.07057 142.6
[M]- 244.07167 142.6
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

No patent data available for this compound.