CID 71310200

79838-05-4

Structural Information

Molecular Formula
C10H12ClN2O5P
SMILES
C1COCCN1P(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H12ClN2O5P/c11-19(16,12-5-7-17-8-6-12)18-10-3-1-9(2-4-10)13(14)15/h1-4H,5-8H2
InChIKey
NAYVUMVPONYZEA-UHFFFAOYSA-N
Compound name
4-[chloro-(4-nitrophenoxy)phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.01724 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02452 161.4
[M+Na]+ 329.00646 166.1
[M-H]- 305.00996 165.8
[M+NH4]+ 324.05106 173.4
[M+K]+ 344.98040 161.0
[M+H-H2O]+ 289.01450 156.6
[M+HCOO]- 351.01544 181.4
[M+CH3COO]- 365.03109 192.7
[M+Na-2H]- 326.99191 168.3
[M]+ 306.01669 161.2
[M]- 306.01779 161.2
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.