CID 9573

343-47-5

Structural Information

Molecular Formula
C13H12FNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCF
InChI
InChI=1S/C13H12FNO2/c14-8-9-17-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)
InChIKey
UPCQNDMHEQCJIP-UHFFFAOYSA-N
Compound name
2-fluoroethyl N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09248 148.7
[M+Na]+ 256.07442 156.0
[M-H]- 232.07792 151.8
[M+NH4]+ 251.11902 167.3
[M+K]+ 272.04836 152.8
[M+H-H2O]+ 216.08246 141.0
[M+HCOO]- 278.08340 171.5
[M+CH3COO]- 292.09905 192.2
[M+Na-2H]- 254.05987 155.9
[M]+ 233.08465 148.8
[M]- 233.08575 148.8
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.