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

12
Patents

171.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.059076 131.1
[M+Na]+ 194.041018 140.2
[M-H]- 170.044524 133.6
[M+NH4]+ 189.085623 152.1
[M+K]+ 210.014958 136.5
[M+H-H2O]+ 154.049060 124.7
[M+HCOO]- 216.050001 149.9
[M+CH3COO]- 230.065651 181.2
[M+Na-2H]- 192.026466 133.8
[M]+ 171.05125142 130.7
[M]- 171.05234858 130.7
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