CID 494229

3,3-dimethyl-4,5-dihydro-3h-3lambda(5)-benzo(e)phosphindol-7-yl methyl ether

Structural Information

Molecular Formula
C15H18OP
SMILES
COC1=CC2=C(C=C1)C3=C(CC2)[P+](C=C3)(C)C
InChI
InChI=1S/C15H18OP/c1-16-12-5-6-13-11(10-12)4-7-15-14(13)8-9-17(15,2)3/h5-6,8-10H,4,7H2,1-3H3/q+1
InChIKey
MUVAEEJLQZKZOE-UHFFFAOYSA-N
Compound name
7-methoxy-3,3-dimethyl-4,5-dihydrobenzo[e]phosphindol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10953 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11681 158.5
[M+Na]+ 268.09875 167.8
[M-H]- 244.10225 163.5
[M+NH4]+ 263.14335 182.5
[M+K]+ 284.07269 158.4
[M+H-H2O]+ 228.10679 153.2
[M+HCOO]- 290.10773 184.8
[M+CH3COO]- 304.12338 190.1
[M+Na-2H]- 266.08420 163.1
[M]+ 245.10898 159.9
[M]- 245.11008 159.9
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.