CID 89927

22953-56-6

Structural Information

Molecular Formula
C17H16Cl2FNO2
SMILES
C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)F
InChI
InChI=1S/C17H16Cl2FNO2/c18-9-11-21(12-10-19)15-5-7-16(8-6-15)23-17(22)13-1-3-14(20)4-2-13/h1-8H,9-12H2
InChIKey
DFINKRRPZPLYKC-UHFFFAOYSA-N
Compound name
[4-[bis(2-chloroethyl)amino]phenyl] 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.0542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06148 176.5
[M+Na]+ 378.04342 190.4
[M+NH4]+ 373.08802 184.3
[M+K]+ 394.01736 181.7
[M-H]- 354.04692 179.9
[M+Na-2H]- 376.02887 184.7
[M]+ 355.05365 180.0
[M]- 355.05475 180.0
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

No patent data available for this compound.