CID 3042613

Decyl (4-iodophenyl)methyl carbonate

Structural Information

Molecular Formula
C18H27IO3
SMILES
CCCCCCCCCCOC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C18H27IO3/c1-2-3-4-5-6-7-8-9-14-21-18(20)22-15-16-10-12-17(19)13-11-16/h10-13H,2-9,14-15H2,1H3
InChIKey
PZIZWKOZHBXURL-UHFFFAOYSA-N
Compound name
decyl (4-iodophenyl)methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1005 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10778 192.7
[M+Na]+ 441.08972 189.9
[M-H]- 417.09322 187.7
[M+NH4]+ 436.13432 202.6
[M+K]+ 457.06366 192.7
[M+H-H2O]+ 401.09776 181.1
[M+HCOO]- 463.09870 208.5
[M+CH3COO]- 477.11435 213.9
[M+Na-2H]- 439.07517 180.9
[M]+ 418.09995 195.9
[M]- 418.10105 195.9
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.