CID 43208

60075-83-4

Structural Information

Molecular Formula
C14H19IO3
SMILES
CC(C)OC(=O)OCCC(C)C1=CC=C(C=C1)I
InChI
InChI=1S/C14H19IO3/c1-10(2)18-14(16)17-9-8-11(3)12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3
InChIKey
BWRLYESNWMEAGD-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)butyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0379 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04518 172.3
[M+Na]+ 385.02712 170.7
[M-H]- 361.03062 168.3
[M+NH4]+ 380.07172 184.4
[M+K]+ 401.00106 175.5
[M+H-H2O]+ 345.03516 162.0
[M+HCOO]- 407.03610 187.7
[M+CH3COO]- 421.05175 204.3
[M+Na-2H]- 383.01257 160.7
[M]+ 362.03735 173.2
[M]- 362.03845 173.2
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

No patent data available for this compound.