CID 92132980

Tert-butyl n-(3-chlorothiophen-2-yl)carbamate

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C)(C)OC(=O)NC1=C(C=CS1)Cl
InChI
InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-7-6(10)4-5-14-7/h4-5H,1-3H3,(H,11,12)
InChIKey
MOUVZIQSSJFSDC-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chlorothiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.02773 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 152.3
[M+Na]+ 256.01695 161.9
[M+NH4]+ 251.06155 160.4
[M+K]+ 271.99089 156.6
[M-H]- 232.02045 153.1
[M+Na-2H]- 254.00240 156.1
[M]+ 233.02718 154.5
[M]- 233.02828 154.5
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.