CID 20888455

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.07498 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.082256 133.6
[M+Na]+ 199.064198 143.0
[M-H]- 175.067704 138.0
[M+NH4]+ 194.108803 153.9
[M+K]+ 215.038138 139.2
[M+H-H2O]+ 159.072240 125.7
[M+HCOO]- 221.073181 158.3
[M+CH3COO]- 235.088831 147.5
[M+Na-2H]- 197.049646 138.8
[M]+ 176.07443142 130.6
[M]- 176.07552858 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

patents stripe