CID 2759011

3-fluoro-n-methylaniline

Structural Information

Molecular Formula
C7H8FN
SMILES
CNC1=CC(=CC=C1)F
InChI
InChI=1S/C7H8FN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKey
FHYDHJXZZQCXOX-UHFFFAOYSA-N
Compound name
3-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

773
Patents

125.06408 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07136 122.3
[M+Na]+ 148.05330 134.8
[M+NH4]+ 143.09790 131.5
[M+K]+ 164.02724 127.8
[M-H]- 124.05680 124.5
[M+Na-2H]- 146.03875 130.4
[M]+ 125.06353 124.6
[M]- 125.06463 124.6
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