CID 66523498

3-(pentafluorosulfur)benzylamine

Structural Information

Molecular Formula
C7H8F5NS
SMILES
C1=CC(=CC(=C1)S(F)(F)(F)(F)F)CN
InChI
InChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2
InChIKey
FJOVSWPDVAFUMX-UHFFFAOYSA-N
Compound name
[3-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

233.02975 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03703 145.0
[M+Na]+ 256.01897 151.3
[M+NH4]+ 251.06357 149.4
[M+K]+ 271.99291 145.4
[M-H]- 232.02247 141.1
[M+Na-2H]- 254.00442 147.6
[M]+ 233.02920 144.7
[M]- 233.03030 144.7
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

patents stripe