CID 137935793

2253629-91-1

Structural Information

Molecular Formula
C8H10IOP
SMILES
CP(=O)(C)C1=CC=CC=C1I
InChI
InChI=1S/C8H10IOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKey
HESPEXAZJDWSME-UHFFFAOYSA-N
Compound name
1-dimethylphosphoryl-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

279.9514 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.95868 147.2
[M+Na]+ 302.94062 148.7
[M-H]- 278.94412 143.1
[M+NH4]+ 297.98522 163.3
[M+K]+ 318.91456 152.7
[M+H-H2O]+ 262.94866 136.4
[M+HCOO]- 324.94960 170.2
[M+CH3COO]- 338.96525 189.4
[M+Na-2H]- 300.92607 139.2
[M]+ 279.95085 146.2
[M]- 279.95195 146.2
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

patents stripe