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

319
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 134.0
[M+Na]+ 207.96912 147.9
[M-H]- 183.97262 137.6
[M+NH4]+ 203.01372 153.9
[M+K]+ 223.94306 141.7
[M+H-H2O]+ 167.97716 124.6
[M+HCOO]- 229.97810 146.6
[M+CH3COO]- 243.99375 193.7
[M+Na-2H]- 205.95457 139.2
[M]+ 184.97935 132.4
[M]- 184.98045 132.4
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