CID 19110

3567-31-5

Structural Information

Molecular Formula
C10H10Cl3NO3
SMILES
C1=CC(=CC(=C1)Cl)C(C(COC(=O)N)(Cl)Cl)O
InChI
InChI=1S/C10H10Cl3NO3/c11-7-3-1-2-6(4-7)8(15)10(12,13)5-17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKey
DJOUUQNBENQHFB-UHFFFAOYSA-N
Compound name
[2,2-dichloro-3-(3-chlorophenyl)-3-hydroxypropyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.97263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.97991 157.1
[M+Na]+ 319.96185 165.0
[M-H]- 295.96535 157.8
[M+NH4]+ 315.00645 172.7
[M+K]+ 335.93579 159.7
[M+H-H2O]+ 279.96989 154.4
[M+HCOO]- 341.97083 163.0
[M+CH3COO]- 355.98648 197.4
[M+Na-2H]- 317.94730 159.3
[M]+ 296.97208 159.5
[M]- 296.97318 159.5
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.