CID 2774597

3-fluoro-4-methylbenzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

198
Patents

139.07973 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.6
[M+Na]+ 162.068948 134.6
[M-H]- 138.072454 128.1
[M+NH4]+ 157.113553 147.4
[M+K]+ 178.042888 132.1
[M+H-H2O]+ 122.076990 119.5
[M+HCOO]- 184.077931 149.9
[M+CH3COO]- 198.093581 177.4
[M+Na-2H]- 160.054396 131.7
[M]+ 139.07918142 123.0
[M]- 139.08027858 123.0
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