CID 3060362

Piperazine, 1-(3-chloropropyl)-4-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C14H18ClF3N2
SMILES
C1CN(CCN1CCCCl)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H18ClF3N2/c15-5-2-6-19-7-9-20(10-8-19)13-4-1-3-12(11-13)14(16,17)18/h1,3-4,11H,2,5-10H2
InChIKey
JVWMYMOCTWRQCO-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

306.11105 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11833 168.5
[M+Na]+ 329.10027 175.2
[M-H]- 305.10377 167.2
[M+NH4]+ 324.14487 181.3
[M+K]+ 345.07421 168.8
[M+H-H2O]+ 289.10831 157.2
[M+HCOO]- 351.10925 176.3
[M+CH3COO]- 365.12490 202.2
[M+Na-2H]- 327.08572 170.3
[M]+ 306.11050 163.1
[M]- 306.11160 163.1
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

patents stripe