CID 2774599

(4-fluoro-3-methylphenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
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

No literature data available for this compound.

Patent stripe

patents stripe