CID 3460457

4-fluoro-2-methylbenzylamine

Structural Information

Molecular Formula
C8H10FN
SMILES
CC1=C(C=CC(=C1)F)CN
InChI
InChI=1S/C8H10FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5,10H2,1H3
InChIKey
KMDTUDLZKZTPCP-UHFFFAOYSA-N
Compound name
(4-fluoro-2-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

139.07973 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 126.7
[M+Na]+ 162.06895 139.1
[M+NH4]+ 157.11355 135.7
[M+K]+ 178.04289 132.4
[M-H]- 138.07245 128.8
[M+Na-2H]- 160.05440 133.8
[M]+ 139.07918 129.0
[M]- 139.08028 129.0
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