CID 17750749

6-chloro-2-fluoro-3-methylbenzonitrile

Structural Information

Molecular Formula
C8H5ClFN
SMILES
CC1=C(C(=C(C=C1)Cl)C#N)F
InChI
InChI=1S/C8H5ClFN/c1-5-2-3-7(9)6(4-11)8(5)10/h2-3H,1H3
InChIKey
ZZIYYBYHLBGXCD-UHFFFAOYSA-N
Compound name
6-chloro-2-fluoro-3-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

169.00946 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01674 128.4
[M+Na]+ 191.99868 142.5
[M+NH4]+ 187.04328 134.2
[M+K]+ 207.97262 132.1
[M-H]- 168.00218 122.7
[M+Na-2H]- 189.98413 133.4
[M]+ 169.00891 128.3
[M]- 169.01001 128.3
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