CID 3499767

2-chloroethyl n-(4-fluorophenyl)carbamate

Structural Information

Molecular Formula
C9H9ClFNO2
SMILES
C1=CC(=CC=C1NC(=O)OCCCl)F
InChI
InChI=1S/C9H9ClFNO2/c10-5-6-14-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
InChIKey
FUZYRDRQAWTOEK-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(4-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03058 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.037856 141.8
[M+Na]+ 240.019798 150.2
[M-H]- 216.023304 144.1
[M+NH4]+ 235.064403 161.0
[M+K]+ 255.993738 146.7
[M+H-H2O]+ 200.027840 135.7
[M+HCOO]- 262.028781 161.5
[M+CH3COO]- 276.044431 186.4
[M+Na-2H]- 238.005246 147.3
[M]+ 217.03003142 143.6
[M]- 217.03112858 143.6
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.