CID 1229841

2928-00-9

Structural Information

Molecular Formula
C10H9FN2S
SMILES
CC1=C(N=C(S1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FN2S/c1-6-9(13-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)
InChIKey
KPOAMSWZRRKBHN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

208.04704 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.054316 140.2
[M+Na]+ 231.036258 151.3
[M-H]- 207.039764 145.3
[M+NH4]+ 226.080863 160.4
[M+K]+ 247.010198 146.5
[M+H-H2O]+ 191.044300 132.9
[M+HCOO]- 253.045241 159.8
[M+CH3COO]- 267.060891 154.1
[M+Na-2H]- 229.021706 141.5
[M]+ 208.04649142 140.2
[M]- 208.04758858 140.2
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