CID 14219746

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

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C)(C)OC(=O)NC1=CSC(=C1)Cl
InChI
InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-6-4-7(10)14-5-6/h4-5H,1-3H3,(H,11,12)
InChIKey
VMFYCGLRWHZNPA-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-chlorothiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

233.02773 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.035006 151.6
[M+Na]+ 256.016948 160.3
[M-H]- 232.020454 156.0
[M+NH4]+ 251.061553 172.8
[M+K]+ 271.990888 157.0
[M+H-H2O]+ 216.024990 147.3
[M+HCOO]- 278.025931 166.1
[M+CH3COO]- 292.041581 187.2
[M+Na-2H]- 254.002396 153.1
[M]+ 233.02718142 156.7
[M]- 233.02827858 156.7
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

patents stripe