CID 118809812

1805901-97-6

Structural Information

Molecular Formula
C7H6F4N2S
SMILES
C1=CC(=C(C=C1NN)F)SC(F)(F)F
InChI
InChI=1S/C7H6F4N2S/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2
InChIKey
ZVOKHHKEWHZZTI-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01878 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02606 138.2
[M+Na]+ 249.00800 147.2
[M-H]- 225.01150 136.6
[M+NH4]+ 244.05260 156.2
[M+K]+ 264.98194 142.6
[M+H-H2O]+ 209.01604 128.9
[M+HCOO]- 271.01698 153.4
[M+CH3COO]- 285.03263 191.2
[M+Na-2H]- 246.99345 140.8
[M]+ 226.01823 132.4
[M]- 226.01933 132.4
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.