CID 99771041

2-amino-5-(pentafluorothio)benzonitrile

Structural Information

Molecular Formula
C7H5F5N2S
SMILES
C1=CC(=C(C=C1S(F)(F)(F)(F)F)C#N)N
InChI
InChI=1S/C7H5F5N2S/c8-15(9,10,11,12)6-1-2-7(14)5(3-6)4-13/h1-3H,14H2
InChIKey
QCSKWNLAJJVWTM-UHFFFAOYSA-N
Compound name
2-amino-5-(pentafluoro-lambda6-sulfanyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.00935 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01663 134.2
[M+Na]+ 266.99857 146.2
[M-H]- 243.00207 132.3
[M+NH4]+ 262.04317 150.3
[M+K]+ 282.97251 142.3
[M+H-H2O]+ 227.00661 119.4
[M+HCOO]- 289.00755 145.4
[M+CH3COO]- 303.02320 202.9
[M+Na-2H]- 264.98402 134.6
[M]+ 244.00880 123.7
[M]- 244.00990 123.7
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.