CID 61283086

2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H6BrNOS
SMILES
C1=CC(=CC(=C1)Br)C2=NC=C(S2)C=O
InChI
InChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKey
PSDVEPTYVROPCN-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.93536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.942636 141.1
[M+Na]+ 289.924578 155.7
[M-H]- 265.928084 150.5
[M+NH4]+ 284.969183 163.1
[M+K]+ 305.898518 143.7
[M+H-H2O]+ 249.932620 141.6
[M+HCOO]- 311.933561 159.9
[M+CH3COO]- 325.949211 157.5
[M+Na-2H]- 287.910026 146.1
[M]+ 266.93481142 162.8
[M]- 266.93590858 162.8
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

No patent data available for this compound.