CID 706326

175135-32-7

Structural Information

Molecular Formula
C9H6F2N2S
SMILES
C1=CC(=C(C=C1C2=CSC(=N2)N)F)F
InChI
InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKey
NDCSJUJQMRFHEX-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

116
Patents

212.02197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02925 137.7
[M+Na]+ 235.01119 149.2
[M-H]- 211.01469 141.5
[M+NH4]+ 230.05579 157.6
[M+K]+ 250.98513 144.2
[M+H-H2O]+ 195.01923 129.6
[M+HCOO]- 257.02017 156.6
[M+CH3COO]- 271.03582 151.4
[M+Na-2H]- 232.99664 139.0
[M]+ 212.02142 136.3
[M]- 212.02252 136.3
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