CID 13930113

3-(fluoromethyl)aniline

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

131
Patents

125.06408 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07136 122.2
[M+Na]+ 148.05330 134.5
[M+NH4]+ 143.09790 131.3
[M+K]+ 164.02724 127.7
[M-H]- 124.05680 124.3
[M+Na-2H]- 146.03875 129.9
[M]+ 125.06353 124.4
[M]- 125.06463 124.4
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

patents stripe