CID 19103348

4-fluoro-3,5-dimethylaniline

Structural Information

Molecular Formula
C8H10FN
SMILES
CC1=CC(=CC(=C1F)C)N
InChI
InChI=1S/C8H10FN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
InChIKey
IGNFILTZSIUWBS-UHFFFAOYSA-N
Compound name
4-fluoro-3,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

139.07973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.2
[M+Na]+ 162.068948 135.1
[M-H]- 138.072454 128.1
[M+NH4]+ 157.113553 147.3
[M+K]+ 178.042888 132.7
[M+H-H2O]+ 122.076990 119.4
[M+HCOO]- 184.077931 149.4
[M+CH3COO]- 198.093581 178.5
[M+Na-2H]- 160.054396 130.6
[M]+ 139.07918142 123.0
[M]- 139.08027858 123.0
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