CID 6454185

Cis-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate

Structural Information

Molecular Formula
C15H16Cl2N2O5S
SMILES
CS(=O)(=O)OC[C@@H]1CO[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O5S/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17/h2-6,10,12H,7-9H2,1H3/t12-,15+/m0/s1
InChIKey
RSLKNHRJTOZPGF-SWLSCSKDSA-N
Compound name
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

406.0157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.02298 187.1
[M+Na]+ 429.00492 197.5
[M-H]- 405.00842 196.3
[M+NH4]+ 424.04952 200.1
[M+K]+ 444.97886 195.3
[M+H-H2O]+ 389.01296 181.9
[M+HCOO]- 451.01390 192.3
[M+CH3COO]- 465.02955 211.0
[M+Na-2H]- 426.99037 187.7
[M]+ 406.01515 196.7
[M]- 406.01625 196.7
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