CID 43122805

2-fluoro-5-methyl-n-[1-(4-methylphenyl)ethyl]aniline hydrochloride

Structural Information

Molecular Formula
C16H18FN
SMILES
CC1=CC=C(C=C1)C(C)NC2=C(C=CC(=C2)C)F
InChI
InChI=1S/C16H18FN/c1-11-4-7-14(8-5-11)13(3)18-16-10-12(2)6-9-15(16)17/h4-10,13,18H,1-3H3
InChIKey
SOFJRHWETABJOK-UHFFFAOYSA-N
Compound name
2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14233 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14961 155.6
[M+Na]+ 266.13155 163.1
[M-H]- 242.13505 161.3
[M+NH4]+ 261.17615 173.1
[M+K]+ 282.10549 158.7
[M+H-H2O]+ 226.13959 147.4
[M+HCOO]- 288.14053 178.3
[M+CH3COO]- 302.15618 199.9
[M+Na-2H]- 264.11700 159.0
[M]+ 243.14178 154.1
[M]- 243.14288 154.1
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

No patent data available for this compound.