CID 5235501

17154-12-0

Structural Information

Molecular Formula
C11H13Cl2P
SMILES
CC1=CP(CC1)(C2=CC=CC=C2)(Cl)Cl
InChI
InChI=1S/C11H13Cl2P/c1-10-7-8-14(12,13,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey
AEMRMAGLXFMHPL-UHFFFAOYSA-N
Compound name
1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0132 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02048 149.3
[M+Na]+ 269.00242 158.5
[M-H]- 245.00592 154.2
[M+NH4]+ 264.04702 170.6
[M+K]+ 284.97636 152.4
[M+H-H2O]+ 229.01046 142.8
[M+HCOO]- 291.01140 168.8
[M+CH3COO]- 305.02705 189.7
[M+Na-2H]- 266.98787 149.3
[M]+ 246.01265 151.3
[M]- 246.01375 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.