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

21
Patents

242.06223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.069506 150.5
[M+Na]+ 265.051448 158.0
[M-H]- 241.054954 152.4
[M+NH4]+ 260.096053 165.8
[M+K]+ 281.025388 153.3
[M+H-H2O]+ 225.059490 141.5
[M+HCOO]- 287.060431 162.5
[M+CH3COO]- 301.076081 189.5
[M+Na-2H]- 263.036896 153.4
[M]+ 242.06168142 146.9
[M]- 242.06277858 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