CID 494228

3,3-dimethyl-2,3-dihydro-1h-3lambda(5)-benzo(e)phosphindole

Structural Information

Molecular Formula
C14H16P
SMILES
C[P+]1(CCC2=C1C=CC3=CC=CC=C23)C
InChI
InChI=1S/C14H16P/c1-15(2)10-9-13-12-6-4-3-5-11(12)7-8-14(13)15/h3-8H,9-10H2,1-2H3/q+1
InChIKey
OSOQWEOMIPGKBY-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-dihydrobenzo[e]phosphindol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09897 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10625 151.0
[M+Na]+ 238.08819 160.0
[M-H]- 214.09169 155.9
[M+NH4]+ 233.13279 176.0
[M+K]+ 254.06213 150.2
[M+H-H2O]+ 198.09623 145.7
[M+HCOO]- 260.09717 177.5
[M+CH3COO]- 274.11282 184.1
[M+Na-2H]- 236.07364 156.5
[M]+ 215.09842 150.3
[M]- 215.09952 150.3
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.