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 126.7
[M+Na]+ 187.01119 136.0
[M-H]- 163.01469 126.6
[M+NH4]+ 182.05579 148.0
[M+K]+ 202.98513 133.5
[M+H-H2O]+ 147.01923 119.0
[M+HCOO]- 209.02017 143.9
[M+CH3COO]- 223.03582 177.4
[M+Na-2H]- 184.99664 127.6
[M]+ 164.02142 124.5
[M]- 164.02252 124.5
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.