CID 4421900

57981-07-4

Structural Information

Molecular Formula
C13H16Cl2N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OCCCl)NC(=O)OCCCl
InChI
InChI=1S/C13H16Cl2N2O4/c1-9-2-3-10(16-12(18)20-6-4-14)8-11(9)17-13(19)21-7-5-15/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19)
InChIKey
YMULDBJHQUUQPR-UHFFFAOYSA-N
Compound name
2-chloroethyl N-[3-(2-chloroethoxycarbonylamino)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0487 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05598 172.0
[M+Na]+ 357.03792 179.0
[M-H]- 333.04142 175.0
[M+NH4]+ 352.08252 186.9
[M+K]+ 373.01186 174.8
[M+H-H2O]+ 317.04596 166.8
[M+HCOO]- 379.04690 187.2
[M+CH3COO]- 393.06255 209.2
[M+Na-2H]- 355.02337 173.8
[M]+ 334.04815 178.7
[M]- 334.04925 178.7
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

No patent data available for this compound.