CID 2779246

2-(3-fluoro-2-methylphenyl)acetonitrile

Structural Information

Molecular Formula
C9H8FN
SMILES
CC1=C(C=CC=C1F)CC#N
InChI
InChI=1S/C9H8FN/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5H2,1H3
InChIKey
AYTNRVRHECGBPZ-UHFFFAOYSA-N
Compound name
2-(3-fluoro-2-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 127.0
[M+Na]+ 172.05329 138.3
[M-H]- 148.05679 129.6
[M+NH4]+ 167.09789 146.6
[M+K]+ 188.02723 135.0
[M+H-H2O]+ 132.06133 114.7
[M+HCOO]- 194.06227 147.1
[M+CH3COO]- 208.07792 190.2
[M+Na-2H]- 170.03874 133.1
[M]+ 149.06352 121.6
[M]- 149.06462 121.6
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