CID 16226900

1049738-89-7

Structural Information

Molecular Formula
C13H15Cl2FN2O
SMILES
C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCl
InChI
InChI=1S/C13H15Cl2FN2O/c14-8-13(19)18-6-4-17(5-7-18)9-10-11(15)2-1-3-12(10)16/h1-3H,4-9H2
InChIKey
HXWMISNOXRZGTI-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.05453 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06181 164.2
[M+Na]+ 327.04375 172.0
[M-H]- 303.04725 165.2
[M+NH4]+ 322.08835 177.7
[M+K]+ 343.01769 165.7
[M+H-H2O]+ 287.05179 155.4
[M+HCOO]- 349.05273 170.4
[M+CH3COO]- 363.06838 201.0
[M+Na-2H]- 325.02920 164.6
[M]+ 304.05398 162.9
[M]- 304.05508 162.9
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.