CID 75480775

2-(5-chloro-1,3-dimethyl-1h-pyrazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H8ClN3
SMILES
CC1=NN(C(=C1CC#N)Cl)C
InChI
InChI=1S/C7H8ClN3/c1-5-6(3-4-9)7(8)11(2)10-5/h3H2,1-2H3
InChIKey
YFBJZYXHGQPZRZ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,3-dimethylpyrazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04796 130.1
[M+Na]+ 192.02990 142.9
[M+NH4]+ 187.07450 135.0
[M+K]+ 208.00384 135.2
[M-H]- 168.03340 123.7
[M+Na-2H]- 190.01535 133.6
[M]+ 169.04013 129.5
[M]- 169.04123 129.5
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

No patent data available for this compound.