CID 3060209

Icr 348

Structural Information

Molecular Formula
C14H15ClF3N3
SMILES
C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCNCCCl
InChI
InChI=1S/C14H15ClF3N3/c15-4-6-19-7-8-21-12-3-5-20-13-9-10(14(16,17)18)1-2-11(12)13/h1-3,5,9,19H,4,6-8H2,(H,20,21)
InChIKey
ACDMENMCZWIBFV-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09067 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09795 168.0
[M+Na]+ 340.07989 176.3
[M-H]- 316.08339 166.7
[M+NH4]+ 335.12449 182.7
[M+K]+ 356.05383 169.3
[M+H-H2O]+ 300.08793 158.3
[M+HCOO]- 362.08887 182.1
[M+CH3COO]- 376.10452 210.1
[M+Na-2H]- 338.06534 174.6
[M]+ 317.09012 166.6
[M]- 317.09122 166.6
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.