CID 14538055

5-methylnicotinoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

155.0138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 125.8
[M+Na]+ 178.00302 135.9
[M-H]- 154.00652 128.5
[M+NH4]+ 173.04762 146.6
[M+K]+ 193.97696 132.8
[M+H-H2O]+ 138.01106 120.7
[M+HCOO]- 200.01200 144.7
[M+CH3COO]- 214.02765 174.9
[M+Na-2H]- 175.98847 133.0
[M]+ 155.01325 128.0
[M]- 155.01435 128.0
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