CID 145867148

5-bromo-2-cyclopropyl-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H6BrNOS
SMILES
C1CC1C2=NC(=C(S2)Br)C=O
InChI
InChI=1S/C7H6BrNOS/c8-6-5(3-10)9-7(11-6)4-1-2-4/h3-4H,1-2H2
InChIKey
XZNBVAMIGSUZRH-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropyl-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.93535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94263 132.9
[M+Na]+ 253.92457 149.0
[M-H]- 229.92807 142.7
[M+NH4]+ 248.96917 151.7
[M+K]+ 269.89851 137.0
[M+H-H2O]+ 213.93261 133.0
[M+HCOO]- 275.93355 151.4
[M+CH3COO]- 289.94920 187.4
[M+Na-2H]- 251.91002 137.5
[M]+ 230.93480 155.7
[M]- 230.93590 155.7
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