CID 2773690

2-chloro-6-fluoro-3-methylphenylacetonitrile

Structural Information

Molecular Formula
C9H7ClFN
SMILES
CC1=C(C(=C(C=C1)F)CC#N)Cl
InChI
InChI=1S/C9H7ClFN/c1-6-2-3-8(11)7(4-5-12)9(6)10/h2-3H,4H2,1H3
InChIKey
ZABHQPCMIZIOPU-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluoro-3-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.0251 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03238 132.5
[M+Na]+ 206.01432 146.5
[M+NH4]+ 201.05892 138.2
[M+K]+ 221.98826 135.8
[M-H]- 182.01782 126.8
[M+Na-2H]- 203.99977 137.3
[M]+ 183.02455 132.4
[M]- 183.02565 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