CID 47003085

2-fluoro-5-(1h-pyrrol-1-yl)aniline

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1=CN(C=C1)C2=CC(=C(C=C2)F)N
InChI
InChI=1S/C10H9FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h1-7H,12H2
InChIKey
SIPWVEMZXMMIHP-UHFFFAOYSA-N
Compound name
2-fluoro-5-pyrrol-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07498 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 135.9
[M+Na]+ 199.06420 148.5
[M+NH4]+ 194.10880 144.6
[M+K]+ 215.03814 143.4
[M-H]- 175.06770 138.9
[M+Na-2H]- 197.04965 144.2
[M]+ 176.07443 138.4
[M]- 176.07553 138.4
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.