CID 16218064

2-chloro-3-methoxybenzonitrile

Structural Information

Molecular Formula
C8H6ClNO
SMILES
COC1=CC=CC(=C1Cl)C#N
InChI
InChI=1S/C8H6ClNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
InChIKey
QZCKPEQQNFBXHZ-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

167.0138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 128.9
[M+Na]+ 190.00302 143.0
[M+NH4]+ 185.04762 135.0
[M+K]+ 205.97696 133.0
[M-H]- 166.00652 124.4
[M+Na-2H]- 187.98847 134.4
[M]+ 167.01325 129.2
[M]- 167.01435 129.2
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