CID 715512

2-[(4-fluorophenyl)amino]-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H11FN2
SMILES
CC(C)(C#N)NC1=CC=C(C=C1)F
InChI
InChI=1S/C10H11FN2/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,13H,1-2H3
InChIKey
SVDZNKZOOVMIKJ-UHFFFAOYSA-N
Compound name
2-(4-fluoroanilino)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

178.09062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09790 140.4
[M+Na]+ 201.07984 149.7
[M-H]- 177.08334 142.5
[M+NH4]+ 196.12444 158.3
[M+K]+ 217.05378 146.8
[M+H-H2O]+ 161.08788 127.6
[M+HCOO]- 223.08882 159.4
[M+CH3COO]- 237.10447 196.5
[M+Na-2H]- 199.06529 146.7
[M]+ 178.09007 133.6
[M]- 178.09117 133.6
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