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]+ 218.03786 141.8
[M+Na]+ 240.01980 150.2
[M-H]- 216.02330 144.1
[M+NH4]+ 235.06440 161.0
[M+K]+ 255.99374 146.7
[M+H-H2O]+ 200.02784 135.7
[M+HCOO]- 262.02878 161.5
[M+CH3COO]- 276.04443 186.4
[M+Na-2H]- 238.00525 147.3
[M]+ 217.03003 143.6
[M]- 217.03113 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.