CID 208508

1-(4-iodophenyl)ethyl methyl carbonate

Structural Information

Molecular Formula
C10H11IO3
SMILES
CC(C1=CC=C(C=C1)I)OC(=O)OC
InChI
InChI=1S/C10H11IO3/c1-7(14-10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey
WIKGKVGWIDFCJN-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.97528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98256 153.0
[M+Na]+ 328.96450 153.3
[M-H]- 304.96800 149.7
[M+NH4]+ 324.00910 167.4
[M+K]+ 344.93844 158.6
[M+H-H2O]+ 288.97254 143.4
[M+HCOO]- 350.97348 170.7
[M+CH3COO]- 364.98913 192.2
[M+Na-2H]- 326.94995 144.7
[M]+ 305.97473 153.1
[M]- 305.97583 153.1
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

patents stripe