CID 186623

Ethyl n-(2,4,5-trichlorophenyl)carbamate

Structural Information

Molecular Formula
C9H8Cl3NO2
SMILES
CCOC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H8Cl3NO2/c1-2-15-9(14)13-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKey
WVPOWISSEQOJEZ-UHFFFAOYSA-N
Compound name
ethyl N-(2,4,5-trichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.96207 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96935 150.7
[M+Na]+ 289.95129 161.1
[M-H]- 265.95479 153.3
[M+NH4]+ 284.99589 168.9
[M+K]+ 305.92523 155.8
[M+H-H2O]+ 249.95933 147.8
[M+HCOO]- 311.96027 160.9
[M+CH3COO]- 325.97592 196.0
[M+Na-2H]- 287.93674 153.6
[M]+ 266.96152 155.5
[M]- 266.96262 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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