CID 136249

403-46-3

Structural Information

Molecular Formula
C8H10FN
SMILES
CN(C)C1=CC=C(C=C1)F
InChI
InChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
YJEHCGOJNJUOII-UHFFFAOYSA-N
Compound name
4-fluoro-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

318
Patents

139.07973 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 125.2
[M+Na]+ 162.06895 133.3
[M-H]- 138.07245 129.4
[M+NH4]+ 157.11355 147.5
[M+K]+ 178.04289 132.7
[M+H-H2O]+ 122.07699 118.7
[M+HCOO]- 184.07793 150.6
[M+CH3COO]- 198.09358 180.5
[M+Na-2H]- 160.05440 132.3
[M]+ 139.07918 124.5
[M]- 139.08028 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe