CID 3003792

2,2,3,3,3-pentafluoro-n',n'-dimethylpropanethiohydrazide

Structural Information

Molecular Formula
C5H7F5N2S
SMILES
CN(C)NC(=S)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H7F5N2S/c1-12(2)11-3(13)4(6,7)5(8,9)10/h1-2H3,(H,11,13)
InChIKey
ANGAZJPWWNXNKS-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-N',N'-dimethylpropanethiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02501 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03229 137.8
[M+Na]+ 245.01423 144.7
[M-H]- 221.01773 133.2
[M+NH4]+ 240.05883 156.3
[M+K]+ 260.98817 143.4
[M+H-H2O]+ 205.02227 128.3
[M+HCOO]- 267.02321 149.5
[M+CH3COO]- 281.03886 194.4
[M+Na-2H]- 242.99968 139.3
[M]+ 222.02446 131.4
[M]- 222.02556 131.4
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.