CID 57348938

5h-benzo[b]phosphindole, 5-chloro-

Structural Information

Molecular Formula
C12H20ClP
SMILES
C1CCC2C(C1)C3CCCCC3P2Cl
InChI
InChI=1S/C12H20ClP/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-12H,1-8H2
InChIKey
UYVKXEOKJUEPRS-UHFFFAOYSA-N
Compound name
5-chloro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrobenzo[b]phosphindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.09912 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10640 154.5
[M+Na]+ 253.08834 159.3
[M-H]- 229.09184 156.8
[M+NH4]+ 248.13294 177.5
[M+K]+ 269.06228 154.1
[M+H-H2O]+ 213.09638 147.2
[M+HCOO]- 275.09732 170.1
[M+CH3COO]- 289.11297 190.6
[M+Na-2H]- 251.07379 152.2
[M]+ 230.09857 148.8
[M]- 230.09967 148.8
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.