CID 17770833

4-fluoro-2,3-dimethylaniline

Structural Information

Molecular Formula
C8H10FN
SMILES
CC1=C(C=CC(=C1C)F)N
InChI
InChI=1S/C8H10FN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3
InChIKey
LKMJLYCMLAPNDB-UHFFFAOYSA-N
Compound name
4-fluoro-2,3-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

139.07973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 126.7
[M+Na]+ 162.06895 139.5
[M+NH4]+ 157.11355 135.7
[M+K]+ 178.04289 132.9
[M-H]- 138.07245 128.9
[M+Na-2H]- 160.05440 133.6
[M]+ 139.07918 129.1
[M]- 139.08028 129.1
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