CID 89453

21165-57-1

Structural Information

Molecular Formula
C17H17ClFN
SMILES
CN(C)CC=C(C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)F
InChI
InChI=1S/C17H17ClFN/c1-20(2)11-10-17(13-6-8-15(18)9-7-13)14-4-3-5-16(19)12-14/h3-10,12H,11H2,1-2H3
InChIKey
UZGRYFCZEHJLQS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-(3-fluorophenyl)-N,N-dimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10336 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11064 166.1
[M+Na]+ 312.09258 173.6
[M-H]- 288.09608 172.5
[M+NH4]+ 307.13718 183.0
[M+K]+ 328.06652 167.8
[M+H-H2O]+ 272.10062 158.0
[M+HCOO]- 334.10156 184.6
[M+CH3COO]- 348.11721 207.3
[M+Na-2H]- 310.07803 168.4
[M]+ 289.10281 167.4
[M]- 289.10391 167.4
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

No patent data available for this compound.