CID 7130668

863763-65-9

Structural Information

Molecular Formula
C16H13F6N
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CNCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C16H13F6N/c17-15(18,19)13-5-1-3-11(7-13)9-23-10-12-4-2-6-14(8-12)16(20,21)22/h1-8,23H,9-10H2
InChIKey
SHPHDCSCFBKTES-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.0952 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10248 171.6
[M+Na]+ 356.08442 179.8
[M-H]- 332.08792 170.5
[M+NH4]+ 351.12902 185.0
[M+K]+ 372.05836 173.5
[M+H-H2O]+ 316.09246 159.1
[M+HCOO]- 378.09340 186.5
[M+CH3COO]- 392.10905 211.3
[M+Na-2H]- 354.06987 175.1
[M]+ 333.09465 163.1
[M]- 333.09575 163.1
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