CID 46837496

1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine hydrochloride

Structural Information

Molecular Formula
C11H12ClF3N2
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C11H12ClF3N2/c12-9-7-8(11(13,14)15)1-2-10(9)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKey
UIXJBZRBMFCQSO-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

264.06412 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07140 154.9
[M+Na]+ 287.05334 162.5
[M-H]- 263.05684 152.8
[M+NH4]+ 282.09794 168.8
[M+K]+ 303.02728 156.0
[M+H-H2O]+ 247.06138 144.7
[M+HCOO]- 309.06232 162.3
[M+CH3COO]- 323.07797 190.7
[M+Na-2H]- 285.03879 158.0
[M]+ 264.06357 146.6
[M]- 264.06467 146.6
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

patents stripe