CID 66853

3-fluorobenzylamine

Structural Information

Molecular Formula
C7H8FN
SMILES
C1=CC(=CC(=C1)F)CN
InChI
InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey
QVSVMNXRLWSNGS-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

5472
Patents

125.06408 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.071356 121.2
[M+Na]+ 148.053298 129.6
[M-H]- 124.056804 123.5
[M+NH4]+ 143.097903 143.2
[M+K]+ 164.027238 127.4
[M+H-H2O]+ 108.061340 115.1
[M+HCOO]- 170.062281 145.8
[M+CH3COO]- 184.077931 173.2
[M+Na-2H]- 146.038746 128.6
[M]+ 125.06353142 117.9
[M]- 125.06462858 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

literature stripe

Patent stripe

patents stripe