CID 44185683

N-[(perfluorobutyl)phenyl-lambda4-sulfanylidene]acetamide

Structural Information

Molecular Formula
C12H8F9NOS
SMILES
CC(=O)N=S(C1=CC=CC=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F9NOS/c1-7(23)22-24(8-5-3-2-4-6-8)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-6H,1H3
InChIKey
MAUZJOYMXJCRIB-UHFFFAOYSA-N
Compound name
N-[1,1,2,2,3,3,4,4,4-nonafluorobutyl(phenyl)-lambda4-sulfanylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.01828 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.025556 171.7
[M+Na]+ 408.007498 179.3
[M-H]- 384.011004 165.1
[M+NH4]+ 403.052103 183.4
[M+K]+ 423.981438 175.0
[M+H-H2O]+ 368.015540 158.1
[M+HCOO]- 430.016481 175.4
[M+CH3COO]- 444.032131 218.3
[M+Na-2H]- 405.992946 172.5
[M]+ 385.01773142 160.8
[M]- 385.01882858 160.8
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.