CID 9834018

2-chloro-5-methylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C7H6ClNO
SMILES
CC1=CC(=C(N=C1)Cl)C=O
InChI
InChI=1S/C7H6ClNO/c1-5-2-6(4-10)7(8)9-3-5/h2-4H,1H3
InChIKey
IZDJJYRXECMSLX-UHFFFAOYSA-N
Compound name
2-chloro-5-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

268
Patents

155.0138 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.021076 125.5
[M+Na]+ 178.003018 136.7
[M-H]- 154.006524 128.4
[M+NH4]+ 173.047623 146.6
[M+K]+ 193.976958 133.3
[M+H-H2O]+ 138.011060 120.5
[M+HCOO]- 200.012001 145.2
[M+CH3COO]- 214.027651 175.2
[M+Na-2H]- 175.988466 133.1
[M]+ 155.01325142 128.6
[M]- 155.01434858 128.6
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

patents stripe