CID 2800965

2,4-dichloro-6-methylbenzonitrile

Structural Information

Molecular Formula
C8H5Cl2N
SMILES
CC1=CC(=CC(=C1C#N)Cl)Cl
InChI
InChI=1S/C8H5Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
InChIKey
NFPYAMXNKNDVDS-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

184.9799 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.98718 129.5
[M+Na]+ 207.96912 144.7
[M+NH4]+ 203.01372 136.1
[M+K]+ 223.94306 134.0
[M-H]- 183.97262 125.5
[M+Na-2H]- 205.95457 135.4
[M]+ 184.97935 130.4
[M]- 184.98045 130.4
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