CID 75481666

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

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C)(C)OC(=O)NC1=C(SC=C1)Cl
InChI
InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-6-4-5-14-7(6)10/h4-5H,1-3H3,(H,11,12)
InChIKey
JFQYVXVFXLHMNC-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chlorothiophen-3-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 151.6
[M+Na]+ 256.01695 160.3
[M-H]- 232.02045 156.0
[M+NH4]+ 251.06155 172.8
[M+K]+ 271.99089 157.0
[M+H-H2O]+ 216.02499 147.3
[M+HCOO]- 278.02593 166.1
[M+CH3COO]- 292.04158 187.2
[M+Na-2H]- 254.00240 153.1
[M]+ 233.02718 156.7
[M]- 233.02828 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

No patent data available for this compound.