CID 3692839

2,4-dibromo-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C4HBr2NOS
SMILES
C(=O)C1=C(N=C(S1)Br)Br
InChI
InChI=1S/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKey
FDBMZERYWBZSQS-UHFFFAOYSA-N
Compound name
2,4-dibromo-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

268.81458 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.82186 118.9
[M+Na]+ 291.80380 133.6
[M-H]- 267.80730 126.2
[M+NH4]+ 286.84840 140.8
[M+K]+ 307.77774 118.3
[M+H-H2O]+ 251.81184 128.1
[M+HCOO]- 313.81278 133.4
[M+CH3COO]- 327.82843 196.1
[M+Na-2H]- 289.78925 125.7
[M]+ 268.81403 155.5
[M]- 268.81513 155.5
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

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