CID 133054323

Tert-butyl n-(5-fluorothiophen-2-yl)carbamate

Structural Information

Molecular Formula
C9H12FNO2S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(S1)F
InChI
InChI=1S/C9H12FNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)
InChIKey
IANLSKHLFQNPAY-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-fluorothiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05728 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06456 146.6
[M+Na]+ 240.04650 154.6
[M-H]- 216.05000 149.5
[M+NH4]+ 235.09110 167.5
[M+K]+ 256.02044 152.8
[M+H-H2O]+ 200.05454 140.5
[M+HCOO]- 262.05548 164.5
[M+CH3COO]- 276.07113 186.1
[M+Na-2H]- 238.03195 148.0
[M]+ 217.05673 148.7
[M]- 217.05783 148.7
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.