CID 3017247

N-allyl-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H10F3N
SMILES
C=CCNC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2-5,7,14H,1,6H2
InChIKey
DGJLLKBHFCFOOZ-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

201.07654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 139.3
[M+Na]+ 224.065758 147.4
[M-H]- 200.069264 139.1
[M+NH4]+ 219.110363 158.4
[M+K]+ 240.039698 143.6
[M+H-H2O]+ 184.073800 131.2
[M+HCOO]- 246.074741 160.0
[M+CH3COO]- 260.090391 187.4
[M+Na-2H]- 222.051206 145.4
[M]+ 201.07599142 134.4
[M]- 201.07708858 134.4
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