CID 3865469

80141-93-1

Structural Information

Molecular Formula
C9H8FN
SMILES
CC1=C(C=CC(=C1)F)CC#N
InChI
InChI=1S/C9H8FN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4H2,1H3
InChIKey
VHULROKXGBQUDA-UHFFFAOYSA-N
Compound name
2-(4-fluoro-2-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

149.06407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 131.3
[M+Na]+ 172.05329 144.3
[M+NH4]+ 167.09789 136.7
[M+K]+ 188.02723 133.8
[M-H]- 148.05679 125.5
[M+Na-2H]- 170.03874 135.9
[M]+ 149.06352 130.7
[M]- 149.06462 130.7
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