CID 15759194

Tert-butyl n-(5-bromothiophen-3-yl)carbamate

Structural Information

Molecular Formula
C9H12BrNO2S
SMILES
CC(C)(C)OC(=O)NC1=CSC(=C1)Br
InChI
InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-6-4-7(10)14-5-6/h4-5H,1-3H3,(H,11,12)
InChIKey
XYKJEMNFRNXVIG-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromothiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

276.9772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98448 150.6
[M+Na]+ 299.96642 162.4
[M-H]- 275.96992 157.5
[M+NH4]+ 295.01102 172.9
[M+K]+ 315.94036 151.3
[M+H-H2O]+ 259.97446 150.8
[M+HCOO]- 321.97540 167.5
[M+CH3COO]- 335.99105 193.2
[M+Na-2H]- 297.95187 154.4
[M]+ 276.97665 172.2
[M]- 276.97775 172.2
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

patents stripe