CID 21908349

2-(3-fluorophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H10FN
SMILES
CC(C)(C#N)C1=CC(=CC=C1)F
InChI
InChI=1S/C10H10FN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,1-2H3
InChIKey
JCMIPICRZKCQAV-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

163.07973 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08701 135.2
[M+Na]+ 186.06895 145.6
[M-H]- 162.07245 137.6
[M+NH4]+ 181.11355 154.1
[M+K]+ 202.04289 142.5
[M+H-H2O]+ 146.07699 122.9
[M+HCOO]- 208.07793 153.5
[M+CH3COO]- 222.09358 192.2
[M+Na-2H]- 184.05440 141.6
[M]+ 163.07918 129.2
[M]- 163.08028 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