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]+ 165.08226 132.2
[M+Na]+ 187.06420 142.6
[M-H]- 163.06770 135.9
[M+NH4]+ 182.10880 151.5
[M+K]+ 203.03814 140.7
[M+H-H2O]+ 147.07224 119.1
[M+HCOO]- 209.07318 153.5
[M+CH3COO]- 223.08883 197.7
[M+Na-2H]- 185.04965 137.6
[M]+ 164.07443 127.1
[M]- 164.07553 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