CID 494151

Nsc152776

Structural Information

Molecular Formula
C13H17ClP
SMILES
C[P+]1(CC=CC1)CCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClP/c1-15(9-2-3-10-15)11-8-12-4-6-13(14)7-5-12/h2-7H,8-11H2,1H3/q+1
InChIKey
ZYBHKJJOZWXSEY-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-1-methyl-2,5-dihydrophosphol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07564 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08292 155.9
[M+Na]+ 262.06486 163.8
[M-H]- 238.06836 161.5
[M+NH4]+ 257.10946 178.4
[M+K]+ 278.03880 153.4
[M+H-H2O]+ 222.07290 151.0
[M+HCOO]- 284.07384 180.1
[M+CH3COO]- 298.08949 184.5
[M+Na-2H]- 260.05031 159.1
[M]+ 239.07509 156.7
[M]- 239.07619 156.7
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.