CID 55267341

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

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CN=C(C=C1Cl)CC#N
InChI
InChI=1S/C7H5ClN2/c8-6-2-4-10-7(5-6)1-3-9/h2,4-5H,1H2
InChIKey
JCEFJISZKHVFOP-UHFFFAOYSA-N
Compound name
2-(4-chloropyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.01413 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 127.8
[M+Na]+ 175.00335 142.0
[M+NH4]+ 170.04795 133.8
[M+K]+ 190.97729 131.6
[M-H]- 151.00685 122.9
[M+Na-2H]- 172.98880 133.6
[M]+ 152.01358 128.0
[M]- 152.01468 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

No literature data available for this compound.

Patent stripe

patents stripe