CID 63334728

1226084-37-2

Structural Information

Molecular Formula
C13H12FN
SMILES
CC1=C(C=C(C=C1)N)C2=CC(=CC=C2)F
InChI
InChI=1S/C13H12FN/c1-9-5-6-12(15)8-13(9)10-3-2-4-11(14)7-10/h2-8H,15H2,1H3
InChIKey
PDMFKRJGHZFWQZ-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09538 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10266 142.0
[M+Na]+ 224.08460 151.2
[M-H]- 200.08810 147.7
[M+NH4]+ 219.12920 161.1
[M+K]+ 240.05854 146.7
[M+H-H2O]+ 184.09264 134.4
[M+HCOO]- 246.09358 166.1
[M+CH3COO]- 260.10923 189.3
[M+Na-2H]- 222.07005 147.2
[M]+ 201.09483 139.2
[M]- 201.09593 139.2
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

No patent data available for this compound.