CID 39871567

2,2,2-trifluoroethyl n-(2,5-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C9H6Cl2F3NO2
SMILES
C1=CC(=C(C=C1Cl)NC(=O)OCC(F)(F)F)Cl
InChI
InChI=1S/C9H6Cl2F3NO2/c10-5-1-2-6(11)7(3-5)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKey
IAAUBGSWPKMTJQ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2,5-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.97278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98006 150.8
[M+Na]+ 309.96200 161.1
[M-H]- 285.96550 150.5
[M+NH4]+ 305.00660 168.0
[M+K]+ 325.93594 155.7
[M+H-H2O]+ 269.97004 144.4
[M+HCOO]- 331.97098 161.9
[M+CH3COO]- 345.98663 197.3
[M+Na-2H]- 307.94745 154.6
[M]+ 286.97223 151.4
[M]- 286.97333 151.4
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.