CID 10353971

4-(pentafluorosulfanyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C6H7F5N2S
SMILES
C1=CC(=C(C=C1S(F)(F)(F)(F)F)N)N
InChI
InChI=1S/C6H7F5N2S/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3H,12-13H2
InChIKey
UIJLRAJFHPRCAD-UHFFFAOYSA-N
Compound name
4-(pentafluoro-lambda6-sulfanyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

234.02501 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03229 132.3
[M+Na]+ 257.01423 142.8
[M-H]- 233.01773 129.7
[M+NH4]+ 252.05883 150.1
[M+K]+ 272.98817 137.8
[M+H-H2O]+ 217.02227 123.3
[M+HCOO]- 279.02321 146.7
[M+CH3COO]- 293.03886 192.0
[M+Na-2H]- 254.99968 132.2
[M]+ 234.02446 124.1
[M]- 234.02556 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe