CID 84767600

2133458-65-6

Structural Information

Molecular Formula
C6H8F2N2S
SMILES
CC(C1=CSC(=N1)CN)(F)F
InChI
InChI=1S/C6H8F2N2S/c1-6(7,8)4-3-11-5(2-9)10-4/h3H,2,9H2,1H3
InChIKey
WEEXJXYMBSZCHG-UHFFFAOYSA-N
Compound name
[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.03763 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04491 132.1
[M+Na]+ 201.02685 141.6
[M-H]- 177.03035 132.0
[M+NH4]+ 196.07145 153.0
[M+K]+ 217.00079 138.8
[M+H-H2O]+ 161.03489 124.8
[M+HCOO]- 223.03583 148.5
[M+CH3COO]- 237.05148 179.9
[M+Na-2H]- 199.01230 134.2
[M]+ 178.03708 130.2
[M]- 178.03818 130.2
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