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

literature stripe

Patent stripe

patents stripe