CID 4011780

[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methanamine

Structural Information

Molecular Formula
C10H9FN2S
SMILES
C1=CC=C(C(=C1)C2=CSC(=N2)CN)F
InChI
InChI=1S/C10H9FN2S/c11-8-4-2-1-3-7(8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
InChIKey
WCVLVPWPAPWQHJ-UHFFFAOYSA-N
Compound name
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04704 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.054316 140.1
[M+Na]+ 231.036258 150.3
[M-H]- 207.039764 144.8
[M+NH4]+ 226.080863 160.0
[M+K]+ 247.010198 145.6
[M+H-H2O]+ 191.044300 132.5
[M+HCOO]- 253.045241 159.7
[M+CH3COO]- 267.060891 153.6
[M+Na-2H]- 229.021706 142.1
[M]+ 208.04649142 139.6
[M]- 208.04758858 139.6
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

No patent data available for this compound.