CID 715512

121071-28-1

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

11
Patents

178.09062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.097896 140.4
[M+Na]+ 201.079838 149.7
[M-H]- 177.083344 142.5
[M+NH4]+ 196.124443 158.3
[M+K]+ 217.053778 146.8
[M+H-H2O]+ 161.087880 127.6
[M+HCOO]- 223.088821 159.4
[M+CH3COO]- 237.104471 196.5
[M+Na-2H]- 199.065286 146.7
[M]+ 178.09007142 133.6
[M]- 178.09116858 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