CID 12857

717-17-9

Structural Information

Molecular Formula
C10H13FN2O2
SMILES
CC(C1=CC=C(C=C1)F)NNC(=O)OC
InChI
InChI=1S/C10H13FN2O2/c1-7(12-13-10(14)15-2)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3,(H,13,14)
InChIKey
VVWMCYCIYUMQBV-UHFFFAOYSA-N
Compound name
methyl N-[1-(4-fluorophenyl)ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0961 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10338 145.3
[M+Na]+ 235.08532 151.3
[M-H]- 211.08882 147.7
[M+NH4]+ 230.12992 163.4
[M+K]+ 251.05926 150.1
[M+H-H2O]+ 195.09336 137.7
[M+HCOO]- 257.09430 169.2
[M+CH3COO]- 271.10995 191.6
[M+Na-2H]- 233.07077 149.7
[M]+ 212.09555 144.0
[M]- 212.09665 144.0
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.