CID 1133337

4-fluoro-n-[(4-fluorophenyl)methyl]aniline

Structural Information

Molecular Formula
C13H11F2N
SMILES
C1=CC(=CC=C1CNC2=CC=C(C=C2)F)F
InChI
InChI=1S/C13H11F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKey
OQVIJNAAQBTAAY-UHFFFAOYSA-N
Compound name
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.08595 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09323 144.3
[M+Na]+ 242.07517 152.6
[M-H]- 218.07867 148.7
[M+NH4]+ 237.11977 162.5
[M+K]+ 258.04911 147.9
[M+H-H2O]+ 202.08321 135.4
[M+HCOO]- 264.08415 168.0
[M+CH3COO]- 278.09980 191.5
[M+Na-2H]- 240.06062 150.7
[M]+ 219.08540 141.0
[M]- 219.08650 141.0
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