CID 53429057

2-(3-chloropyridin-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CN=CC(=C1CC#N)Cl
InChI
InChI=1S/C7H5ClN2/c8-7-5-10-4-2-6(7)1-3-9/h2,4-5H,1H2
InChIKey
KOAXPBGCYGFNQA-UHFFFAOYSA-N
Compound name
2-(3-chloropyridin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.01413 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 126.8
[M+Na]+ 175.00335 138.5
[M-H]- 151.00685 128.7
[M+NH4]+ 170.04795 145.5
[M+K]+ 190.97729 134.2
[M+H-H2O]+ 135.01139 114.8
[M+HCOO]- 197.01233 142.9
[M+CH3COO]- 211.02798 187.1
[M+Na-2H]- 172.98880 134.5
[M]+ 152.01358 123.4
[M]- 152.01468 123.4
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