CID 112693599

1-(3,5-dichlorophenyl)-3,3,3-trifluoropropan-1-amine

Structural Information

Molecular Formula
C9H8Cl2F3N
SMILES
C1=C(C=C(C=C1Cl)Cl)C(CC(F)(F)F)N
InChI
InChI=1S/C9H8Cl2F3N/c10-6-1-5(2-7(11)3-6)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKey
ZNLHMXGTUGHXOO-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9986 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00588 146.7
[M+Na]+ 279.98782 156.7
[M-H]- 255.99132 145.7
[M+NH4]+ 275.03242 164.8
[M+K]+ 295.96176 150.4
[M+H-H2O]+ 239.99586 140.6
[M+HCOO]- 301.99680 156.4
[M+CH3COO]- 316.01245 194.9
[M+Na-2H]- 277.97327 149.3
[M]+ 256.99805 144.3
[M]- 256.99915 144.3
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.