CID 204832

17052-11-8

Structural Information

Molecular Formula
C11H12NO4P
SMILES
CC1=CCP(=O)(C1)OC2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12NO4P/c1-9-5-6-17(15,8-9)16-11-4-2-3-10(7-11)12(13)14/h2-5,7H,6,8H2,1H3
InChIKey
RZLOMMAZMCQPDY-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-nitrophenoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05768 151.1
[M+Na]+ 276.03962 158.4
[M-H]- 252.04312 157.4
[M+NH4]+ 271.08422 171.4
[M+K]+ 292.01356 152.8
[M+H-H2O]+ 236.04766 147.6
[M+HCOO]- 298.04860 182.5
[M+CH3COO]- 312.06425 186.4
[M+Na-2H]- 274.02507 155.7
[M]+ 253.04985 151.6
[M]- 253.05095 151.6
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.