CID 170901910

2940951-96-0

Structural Information

Molecular Formula
C11H11ClFN3O2S
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(S1)C(=CN=C2Cl)F
InChI
InChI=1S/C11H11ClFN3O2S/c1-11(2,3)18-10(17)16-9-15-6-7(19-9)5(13)4-14-8(6)12/h4H,1-3H3,(H,15,16,17)
InChIKey
OQUVTEAYBZSDMR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chloro-7-fluoro-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02444 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03172 163.9
[M+Na]+ 326.01366 176.0
[M-H]- 302.01716 166.1
[M+NH4]+ 321.05826 181.3
[M+K]+ 341.98760 171.2
[M+H-H2O]+ 286.02170 157.5
[M+HCOO]- 348.02264 175.6
[M+CH3COO]- 362.03829 200.7
[M+Na-2H]- 323.99911 166.9
[M]+ 303.02389 171.0
[M]- 303.02499 171.0
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.