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

133
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 121.2
[M+Na]+ 148.05330 129.6
[M-H]- 124.05680 123.5
[M+NH4]+ 143.09790 143.2
[M+K]+ 164.02724 127.4
[M+H-H2O]+ 108.06134 115.1
[M+HCOO]- 170.06228 145.8
[M+CH3COO]- 184.07793 173.2
[M+Na-2H]- 146.03875 128.6
[M]+ 125.06353 117.9
[M]- 125.06463 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