CID 108419

60207-89-8

Structural Information

Molecular Formula
C13H15BrCl2O2
SMILES
CCCC1COC(O1)(CBr)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H15BrCl2O2/c1-2-3-10-7-17-13(8-14,18-10)11-5-4-9(15)6-12(11)16/h4-6,10H,2-3,7-8H2,1H3
InChIKey
PJVTZAKVRVBCMJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

351.96326 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.97054 170.3
[M+Na]+ 374.95248 183.5
[M-H]- 350.95598 180.1
[M+NH4]+ 369.99708 190.1
[M+K]+ 390.92642 171.7
[M+H-H2O]+ 334.96052 172.3
[M+HCOO]- 396.96146 179.8
[M+CH3COO]- 410.97711 203.9
[M+Na-2H]- 372.93793 174.9
[M]+ 351.96271 193.6
[M]- 351.96381 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe