CID 59146532

1-cyclopentyl-2-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C12H13F3
SMILES
C1CCC(C1)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H13F3/c13-12(14,15)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKey
HZNXRICIKBTUQY-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

214.09694 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10422 144.1
[M+Na]+ 237.08616 151.1
[M-H]- 213.08966 146.6
[M+NH4]+ 232.13076 164.4
[M+K]+ 253.06010 147.4
[M+H-H2O]+ 197.09420 135.7
[M+HCOO]- 259.09514 162.3
[M+CH3COO]- 273.11079 185.8
[M+Na-2H]- 235.07161 146.9
[M]+ 214.09639 136.8
[M]- 214.09749 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe