CID 11096129

2,4-difluoro-n-(pyridin-3-ylmethyl)aniline

Structural Information

Molecular Formula
C12H10F2N2
SMILES
C1=CC(=CN=C1)CNC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H10F2N2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKey
LDRSQLVXBAGLIR-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

220.0812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08848 144.4
[M+Na]+ 243.07042 153.1
[M-H]- 219.07392 147.4
[M+NH4]+ 238.11502 161.2
[M+K]+ 259.04436 148.3
[M+H-H2O]+ 203.07846 134.6
[M+HCOO]- 265.07940 167.0
[M+CH3COO]- 279.09505 191.1
[M+Na-2H]- 241.05587 151.4
[M]+ 220.08065 141.2
[M]- 220.08175 141.2
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

patents stripe