CID 14590

1211-00-3

Structural Information

Molecular Formula
C10H11Cl2NO3
SMILES
C1=CC=C(C=C1)C(C(COC(=O)N)(Cl)Cl)O
InChI
InChI=1S/C10H11Cl2NO3/c11-10(12,6-16-9(13)15)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H2,13,15)
InChIKey
KIUGWPDQHKXJHE-UHFFFAOYSA-N
Compound name
(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.0116 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.01888 152.5
[M+Na]+ 286.00082 159.5
[M-H]- 262.00432 153.8
[M+NH4]+ 281.04542 169.1
[M+K]+ 301.97476 155.0
[M+H-H2O]+ 246.00886 148.7
[M+HCOO]- 308.00980 163.6
[M+CH3COO]- 322.02545 191.0
[M+Na-2H]- 283.98627 156.2
[M]+ 263.01105 154.3
[M]- 263.01215 154.3
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.