CID 79015047

4-(4-fluorophenyl)piperazine-1-carbonyl chloride hydrochloride

Structural Information

Molecular Formula
C11H12ClFN2O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)Cl
InChI
InChI=1S/C11H12ClFN2O/c12-11(16)15-7-5-14(6-8-15)10-3-1-9(13)2-4-10/h1-4H,5-8H2
InChIKey
PMSDULNPZPXWMJ-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)piperazine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

242.06223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06951 150.5
[M+Na]+ 265.05145 158.0
[M-H]- 241.05495 152.4
[M+NH4]+ 260.09605 165.8
[M+K]+ 281.02539 153.3
[M+H-H2O]+ 225.05949 141.5
[M+HCOO]- 287.06043 162.5
[M+CH3COO]- 301.07608 189.5
[M+Na-2H]- 263.03690 153.4
[M]+ 242.06168 146.9
[M]- 242.06278 146.9
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

patents stripe