CID 17770833

3-amino-6-fluoro-1,2-dimethylbenzene

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 125.2
[M+Na]+ 162.06895 135.1
[M-H]- 138.07245 128.1
[M+NH4]+ 157.11355 147.3
[M+K]+ 178.04289 132.7
[M+H-H2O]+ 122.07699 119.4
[M+HCOO]- 184.07793 149.4
[M+CH3COO]- 198.09358 178.5
[M+Na-2H]- 160.05440 130.6
[M]+ 139.07918 123.0
[M]- 139.08028 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