CID 46915164

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

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1=CN(C=C1)C2=C(C=CC(=C2)F)N
InChI
InChI=1S/C10H9FN2/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h1-7H,12H2
InChIKey
OBYNCEWXEFEESX-UHFFFAOYSA-N
Compound name
4-fluoro-2-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 133.6
[M+Na]+ 199.06420 143.0
[M-H]- 175.06770 138.0
[M+NH4]+ 194.10880 153.9
[M+K]+ 215.03814 139.2
[M+H-H2O]+ 159.07224 125.7
[M+HCOO]- 221.07318 158.3
[M+CH3COO]- 235.08883 147.5
[M+Na-2H]- 197.04965 138.8
[M]+ 176.07443 130.6
[M]- 176.07553 130.6
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.