CID 56828109

[5-fluoro-2-(methylsulfanyl)phenyl]methanamine

Structural Information

Molecular Formula
C8H10FNS
SMILES
CSC1=C(C=C(C=C1)F)CN
InChI
InChI=1S/C8H10FNS/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3
InChIKey
OADLKBJGOHBNGI-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methylsulfanylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

171.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05908 133.0
[M+Na]+ 194.04102 144.7
[M+NH4]+ 189.08562 142.2
[M+K]+ 210.01496 136.0
[M-H]- 170.04452 135.3
[M+Na-2H]- 192.02647 139.2
[M]+ 171.05125 135.7
[M]- 171.05235 135.7
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