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]+ 231.06275 139.5
[M+Na]+ 253.04469 149.5
[M-H]- 229.04819 142.4
[M+NH4]+ 248.08929 153.9
[M+K]+ 269.01863 146.3
[M+H-H2O]+ 213.05273 132.1
[M+HCOO]- 275.05367 157.2
[M+CH3COO]- 289.06932 188.9
[M+Na-2H]- 251.03014 145.3
[M]+ 230.05492 137.9
[M]- 230.05602 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