CID 2064089

4-(2,5-difluorophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H6F2N2S
SMILES
C1=CC(=C(C=C1F)C2=CSC(=N2)N)F
InChI
InChI=1S/C9H6F2N2S/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKey
PYWJLXKHBXFBDN-UHFFFAOYSA-N
Compound name
4-(2,5-difluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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

No literature data available for this compound.

Patent stripe

patents stripe