CID 10511216

4-(dimethylamino)-3-fluorobenzonitrile

Structural Information

Molecular Formula
C9H9FN2
SMILES
CN(C)C1=C(C=C(C=C1)C#N)F
InChI
InChI=1S/C9H9FN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,1-2H3
InChIKey
UOHZUGYMWIKXBN-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.07498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.082256 132.2
[M+Na]+ 187.064198 142.6
[M-H]- 163.067704 135.9
[M+NH4]+ 182.108803 151.5
[M+K]+ 203.038138 140.7
[M+H-H2O]+ 147.072240 119.1
[M+HCOO]- 209.073181 153.5
[M+CH3COO]- 223.088831 197.7
[M+Na-2H]- 185.049646 137.6
[M]+ 164.07443142 127.1
[M]- 164.07552858 127.1
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