CID 3849720

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide

Structural Information

Molecular Formula
C6H6F3N3OS
SMILES
CC1=NC(=C(S1)C(=O)NN)C(F)(F)F
InChI
InChI=1S/C6H6F3N3OS/c1-2-11-4(6(7,8)9)3(14-2)5(13)12-10/h10H2,1H3,(H,12,13)
InChIKey
DMCVAGWEKQDCEG-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01837 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02565 140.5
[M+Na]+ 248.00759 149.8
[M-H]- 224.01109 139.3
[M+NH4]+ 243.05219 159.1
[M+K]+ 263.98153 146.7
[M+H-H2O]+ 208.01563 131.9
[M+HCOO]- 270.01657 156.1
[M+CH3COO]- 284.03222 189.4
[M+Na-2H]- 245.99304 141.1
[M]+ 225.01782 136.9
[M]- 225.01892 136.9
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.