CID 43197

Carbonic acid, hexyl p-iodobenzyl ester

Structural Information

Molecular Formula
C14H19IO3
SMILES
CCCCCCOC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C14H19IO3/c1-2-3-4-5-10-17-14(16)18-11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3
InChIKey
QQBIIJUFTHYHHY-UHFFFAOYSA-N
Compound name
hexyl (4-iodophenyl)methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0379 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04518 173.2
[M+Na]+ 385.02712 172.1
[M-H]- 361.03062 169.0
[M+NH4]+ 380.07172 185.4
[M+K]+ 401.00106 175.9
[M+H-H2O]+ 345.03516 162.5
[M+HCOO]- 407.03610 190.4
[M+CH3COO]- 421.05175 202.7
[M+Na-2H]- 383.01257 163.7
[M]+ 362.03735 175.2
[M]- 362.03845 175.2
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