CID 22285330

425378-77-4

Structural Information

Molecular Formula
C11H9FN2
SMILES
C1=CC(=CN=C1)C2=C(C=CC(=C2)N)F
InChI
InChI=1S/C11H9FN2/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h1-7H,13H2
InChIKey
RTBGBGREMLPTRD-UHFFFAOYSA-N
Compound name
4-fluoro-3-pyridin-3-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

188.07498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08226 137.6
[M+Na]+ 211.06420 146.7
[M-H]- 187.06770 141.7
[M+NH4]+ 206.10880 155.5
[M+K]+ 227.03814 142.3
[M+H-H2O]+ 171.07224 129.1
[M+HCOO]- 233.07318 161.1
[M+CH3COO]- 247.08883 150.8
[M+Na-2H]- 209.04965 144.8
[M]+ 188.07443 134.2
[M]- 188.07553 134.2
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