CID 13930113

456-46-2

Structural Information

Molecular Formula
C7H8FN
SMILES
C1=CC(=CC(=C1)N)CF
InChI
InChI=1S/C7H8FN/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChIKey
XKGDSQJAWPPBHI-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

125.06408 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.071356 121.2
[M+Na]+ 148.053298 129.6
[M-H]- 124.056804 123.5
[M+NH4]+ 143.097903 143.2
[M+K]+ 164.027238 127.4
[M+H-H2O]+ 108.061340 115.1
[M+HCOO]- 170.062281 145.8
[M+CH3COO]- 184.077931 173.2
[M+Na-2H]- 146.038746 128.6
[M]+ 125.06353142 117.9
[M]- 125.06462858 117.9
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