CID 72942157

1064678-19-8

Structural Information

Molecular Formula
C8H10BrClN2O2S
SMILES
CC(C)(C)OC(=O)NC1=NC(=C(S1)Cl)Br
InChI
InChI=1S/C8H10BrClN2O2S/c1-8(2,3)14-7(13)12-6-11-4(9)5(10)15-6/h1-3H3,(H,11,12,13)
InChIKey
YABOZROIIUSHAJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

311.9335 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.94078 153.1
[M+Na]+ 334.92272 166.8
[M-H]- 310.92622 159.3
[M+NH4]+ 329.96732 174.0
[M+K]+ 350.89666 154.1
[M+H-H2O]+ 294.93076 153.8
[M+HCOO]- 356.93170 164.9
[M+CH3COO]- 370.94735 197.5
[M+Na-2H]- 332.90817 156.6
[M]+ 311.93295 176.8
[M]- 311.93405 176.8
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