CID 3039440

Dimethyl 3-iodo-4-nitrophenyl phosphate

Structural Information

Molecular Formula
C8H9INO6P
SMILES
COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])I
InChI
InChI=1S/C8H9INO6P/c1-14-17(13,15-2)16-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKey
HWIXUMZOOIQHOP-UHFFFAOYSA-N
Compound name
(3-iodo-4-nitrophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.92123 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.92851 172.0
[M+Na]+ 395.91045 172.5
[M-H]- 371.91395 168.4
[M+NH4]+ 390.95505 183.5
[M+K]+ 411.88439 174.5
[M+H-H2O]+ 355.91849 164.3
[M+HCOO]- 417.91943 196.3
[M+CH3COO]- 431.93508 197.2
[M+Na-2H]- 393.89590 165.9
[M]+ 372.92068 173.8
[M]- 372.92178 173.8
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.