CID 155971036

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

Structural Information

Molecular Formula
C11H12BrClN2O
SMILES
C1CN(CCN1C2=CC=C(C=C2)Br)C(=O)Cl
InChI
InChI=1S/C11H12BrClN2O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2
InChIKey
CEXQDSQNYJZAGF-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)piperazine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.98215 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98943 155.8
[M+Na]+ 324.97137 166.4
[M-H]- 300.97487 161.7
[M+NH4]+ 320.01597 172.8
[M+K]+ 340.94531 153.8
[M+H-H2O]+ 284.97941 154.7
[M+HCOO]- 346.98035 167.1
[M+CH3COO]- 360.99600 196.3
[M+Na-2H]- 322.95682 160.7
[M]+ 301.98160 172.2
[M]- 301.98270 172.2
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.