CID 212843

Brn 0997269

Structural Information

Molecular Formula
C12H14NO4P
SMILES
CC1=C(CP(=O)(C1)OC2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C12H14NO4P/c1-9-7-18(16,8-10(9)2)17-12-5-3-11(4-6-12)13(14)15/h3-6H,7-8H2,1-2H3
InChIKey
YWIXYMZRAFRMKF-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1-(4-nitrophenoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06604 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07332 154.8
[M+Na]+ 290.05526 162.7
[M-H]- 266.05876 161.4
[M+NH4]+ 285.09986 174.9
[M+K]+ 306.02920 156.8
[M+H-H2O]+ 250.06330 151.5
[M+HCOO]- 312.06424 185.9
[M+CH3COO]- 326.07989 190.6
[M+Na-2H]- 288.04071 158.5
[M]+ 267.06549 156.1
[M]- 267.06659 156.1
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

No patent data available for this compound.