CID 124253081

1935331-10-4

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
CC1=C(C=C(C(=N1)Cl)C=O)Br
InChI
InChI=1S/C7H5BrClNO/c1-4-6(8)2-5(3-11)7(9)10-4/h2-3H,1H3
InChIKey
KRWFWSGJWCMUKJ-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-6-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.9243 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.93158 137.3
[M+Na]+ 255.91352 143.1
[M+NH4]+ 250.95812 142.6
[M+K]+ 271.88746 142.1
[M-H]- 231.91702 137.8
[M+Na-2H]- 253.89897 141.6
[M]+ 232.92375 137.4
[M]- 232.92485 137.4
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