CID 40543

52819-37-1

Structural Information

Molecular Formula
C10H10Cl3NO2
SMILES
CC(C)OC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H10Cl3NO2/c1-5(2)16-10(15)14-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3,(H,14,15)
InChIKey
KBPISZYZLAIVBF-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2,4,5-trichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.97772 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.98500 156.1
[M+Na]+ 303.96694 169.6
[M+NH4]+ 299.01154 164.1
[M+K]+ 319.94088 162.6
[M-H]- 279.97044 157.6
[M+Na-2H]- 301.95239 161.7
[M]+ 280.97717 159.3
[M]- 280.97827 159.3
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.