CID 118618365

2,5-dibromothiazole-4-carbaldehyde

Structural Information

Molecular Formula
C4HBr2NOS
SMILES
C(=O)C1=C(SC(=N1)Br)Br
InChI
InChI=1S/C4HBr2NOS/c5-3-2(1-8)7-4(6)9-3/h1H
InChIKey
CECVPLSWZMKZMG-UHFFFAOYSA-N
Compound name
2,5-dibromo-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

patents stripe