CID 28875781

1-(4-(trifluoromethyl)phenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C11H9F3O2
SMILES
C1CC1(C2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)8-3-1-7(2-4-8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKey
VVUFHHAYGVZPTQ-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

230.05547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.062746 139.5
[M+Na]+ 253.044688 149.5
[M-H]- 229.048194 142.4
[M+NH4]+ 248.089293 153.9
[M+K]+ 269.018628 146.3
[M+H-H2O]+ 213.052730 132.1
[M+HCOO]- 275.053671 157.2
[M+CH3COO]- 289.069321 188.9
[M+Na-2H]- 251.030136 145.3
[M]+ 230.05492142 137.9
[M]- 230.05601858 137.9
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