CID 59599056

2-bromo-5-tert-butyl-1,3-thiazole

Structural Information

Molecular Formula
C7H10BrNS
SMILES
CC(C)(C)C1=CN=C(S1)Br
InChI
InChI=1S/C7H10BrNS/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3
InChIKey
MPYAUHBDNAUDNV-UHFFFAOYSA-N
Compound name
2-bromo-5-tert-butyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

218.97173 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97901 134.4
[M+Na]+ 241.96095 148.5
[M-H]- 217.96445 140.7
[M+NH4]+ 237.00555 158.5
[M+K]+ 257.93489 137.8
[M+H-H2O]+ 201.96899 135.6
[M+HCOO]- 263.96993 150.6
[M+CH3COO]- 277.98558 183.3
[M+Na-2H]- 239.94640 139.6
[M]+ 218.97118 155.6
[M]- 218.97228 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe