CID 722371

77815-14-6

Structural Information

Molecular Formula
C9H7FN2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)F
InChI
InChI=1S/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
WSOKJBHBMAGBIP-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

189
Patents

194.0314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.038676 135.6
[M+Na]+ 217.020618 146.3
[M-H]- 193.024124 140.5
[M+NH4]+ 212.065223 156.1
[M+K]+ 232.994558 141.8
[M+H-H2O]+ 177.028660 128.3
[M+HCOO]- 239.029601 155.6
[M+CH3COO]- 253.045251 149.6
[M+Na-2H]- 215.006066 138.1
[M]+ 194.03085142 134.8
[M]- 194.03194858 134.8
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