CID 84764773

1-[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C5H6F2N2S
SMILES
C1=C(SC(=N1)C(F)F)CN
InChI
InChI=1S/C5H6F2N2S/c6-4(7)5-9-2-3(1-8)10-5/h2,4H,1,8H2
InChIKey
VDHMXMCQEZVJFM-UHFFFAOYSA-N
Compound name
[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02925 130.2
[M+Na]+ 187.01119 138.3
[M+NH4]+ 182.05579 137.4
[M+K]+ 202.98513 133.5
[M-H]- 163.01469 128.8
[M+Na-2H]- 184.99664 133.6
[M]+ 164.02142 130.9
[M]- 164.02252 130.9
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.