CID 49651940

2-bromo-5-methyl-4-phenylthiazole

Structural Information

Molecular Formula
C10H8BrNS
SMILES
CC1=C(N=C(S1)Br)C2=CC=CC=C2
InChI
InChI=1S/C10H8BrNS/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
RNOQQISGUQUJMQ-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

252.95609 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.96337 138.7
[M+Na]+ 275.94531 153.3
[M-H]- 251.94881 148.1
[M+NH4]+ 270.98991 161.5
[M+K]+ 291.91925 141.5
[M+H-H2O]+ 235.95335 139.4
[M+HCOO]- 297.95429 157.2
[M+CH3COO]- 311.96994 155.3
[M+Na-2H]- 273.93076 143.7
[M]+ 252.95554 159.8
[M]- 252.95664 159.8
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