CID 165912607

Benzyl n-(4-bromothiophen-3-yl)carbamate

Structural Information

Molecular Formula
C12H10BrNO2S
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CSC=C2Br
InChI
InChI=1S/C12H10BrNO2S/c13-10-7-17-8-11(10)14-12(15)16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,14,15)
InChIKey
QVHNNIYWKNIFHC-UHFFFAOYSA-N
Compound name
benzyl N-(4-bromothiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.96155 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.96883 155.9
[M+Na]+ 333.95077 167.2
[M-H]- 309.95427 165.6
[M+NH4]+ 328.99537 176.4
[M+K]+ 349.92471 155.3
[M+H-H2O]+ 293.95881 155.3
[M+HCOO]- 355.95975 175.0
[M+CH3COO]- 369.97540 197.8
[M+Na-2H]- 331.93622 159.9
[M]+ 310.96100 177.0
[M]- 310.96210 177.0
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.