CID 200905

2921-67-7

Structural Information

Molecular Formula
C12H15O2P
SMILES
CC1=CCP(=O)(C1)OCC2=CC=CC=C2
InChI
InChI=1S/C12H15O2P/c1-11-7-8-15(13,10-11)14-9-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3
InChIKey
QEQXPVIRMXNHAD-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylmethoxy-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08096 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08824 148.5
[M+Na]+ 245.07018 156.3
[M-H]- 221.07368 154.3
[M+NH4]+ 240.11478 171.0
[M+K]+ 261.04412 153.9
[M+H-H2O]+ 205.07822 140.2
[M+HCOO]- 267.07916 178.6
[M+CH3COO]- 281.09481 187.2
[M+Na-2H]- 243.05563 150.6
[M]+ 222.08041 150.3
[M]- 222.08151 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.