CID 66523508

[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine

Structural Information

Molecular Formula
C7H8F5NS
SMILES
C1=CC(=CC=C1CN)S(F)(F)(F)(F)F
InChI
InChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H,5,13H2
InChIKey
XEFDRIHZYFHFOJ-UHFFFAOYSA-N
Compound name
[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 132.7
[M+Na]+ 256.01897 142.7
[M-H]- 232.02247 130.2
[M+NH4]+ 251.06357 150.9
[M+K]+ 271.99291 138.1
[M+H-H2O]+ 216.02701 123.7
[M+HCOO]- 278.02795 146.6
[M+CH3COO]- 292.04360 189.5
[M+Na-2H]- 254.00442 133.3
[M]+ 233.02920 126.2
[M]- 233.03030 126.2
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