CID 871608

Cbmicro_023604

Structural Information

Molecular Formula
C13H13FN2
SMILES
CC1=C(C=CC(=C1)F)NCC2=CC=CC=N2
InChI
InChI=1S/C13H13FN2/c1-10-8-11(14)5-6-13(10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3
InChIKey
BHRGEZUMZWOQNO-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-N-(pyridin-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

216.10628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11356 146.2
[M+Na]+ 239.09550 154.5
[M-H]- 215.09900 150.5
[M+NH4]+ 234.14010 163.3
[M+K]+ 255.06944 150.0
[M+H-H2O]+ 199.10354 137.2
[M+HCOO]- 261.10448 169.6
[M+CH3COO]- 275.12013 191.4
[M+Na-2H]- 237.08095 153.3
[M]+ 216.10573 144.5
[M]- 216.10683 144.5
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.