CID 11355904

1-allyl-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C10H9F3
SMILES
C=CCC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H9F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h2,4-7H,1,3H2
InChIKey
AEVBWCOLYXWNMX-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

186.06563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07291 134.8
[M+Na]+ 209.05485 143.7
[M-H]- 185.05835 134.7
[M+NH4]+ 204.09945 154.9
[M+K]+ 225.02879 140.2
[M+H-H2O]+ 169.06289 127.2
[M+HCOO]- 231.06383 154.5
[M+CH3COO]- 245.07948 182.7
[M+Na-2H]- 207.04030 140.7
[M]+ 186.06508 130.6
[M]- 186.06618 130.6
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