CID 199245

3858-25-1

Structural Information

Molecular Formula
C11H13O2P
SMILES
CC1=CP(=O)(CC1)OC2=CC=CC=C2
InChI
InChI=1S/C11H13O2P/c1-10-7-8-14(12,9-10)13-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey
GBKVZQNNDFHUQY-UHFFFAOYSA-N
Compound name
4-methyl-1-phenoxy-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.06532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07260 143.7
[M+Na]+ 231.05454 152.0
[M-H]- 207.05804 149.7
[M+NH4]+ 226.09914 166.8
[M+K]+ 247.02848 149.8
[M+H-H2O]+ 191.06258 135.6
[M+HCOO]- 253.06352 174.2
[M+CH3COO]- 267.07917 184.1
[M+Na-2H]- 229.03999 146.3
[M]+ 208.06477 145.1
[M]- 208.06587 145.1
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

patents stripe