CID 9584

2-fluoroaniline

Structural Information

Molecular Formula
C6H6FN
SMILES
C1=CC=C(C(=C1)N)F
InChI
InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N
Compound name
2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29
References

12293
Patents

111.04842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05570 116.5
[M+Na]+ 134.03764 125.4
[M-H]- 110.04114 119.0
[M+NH4]+ 129.08224 139.0
[M+K]+ 150.01158 123.4
[M+H-H2O]+ 94.045680 110.6
[M+HCOO]- 156.04662 141.5
[M+CH3COO]- 170.06227 170.1
[M+Na-2H]- 132.02309 124.4
[M]+ 111.04787 112.8
[M]- 111.04897 112.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe