CID 12219781

2,2,2-trifluoro-1-phenylethan-1-imine

Structural Information

Molecular Formula
C8H6F3N
SMILES
C1=CC=C(C=C1)C(=N)C(F)(F)F
InChI
InChI=1S/C8H6F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,12H
InChIKey
TZKKVNMGPXQGPP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

173.04523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05251 130.3
[M+Na]+ 196.03445 138.0
[M-H]- 172.03795 130.2
[M+NH4]+ 191.07905 150.1
[M+K]+ 212.00839 135.3
[M+H-H2O]+ 156.04249 122.4
[M+HCOO]- 218.04343 150.7
[M+CH3COO]- 232.05908 181.0
[M+Na-2H]- 194.01990 137.0
[M]+ 173.04468 123.6
[M]- 173.04578 123.6
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