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]+ 386.02556 171.7
[M+Na]+ 408.00750 179.3
[M-H]- 384.01100 165.1
[M+NH4]+ 403.05210 183.4
[M+K]+ 423.98144 175.0
[M+H-H2O]+ 368.01554 158.1
[M+HCOO]- 430.01648 175.4
[M+CH3COO]- 444.03213 218.3
[M+Na-2H]- 405.99295 172.5
[M]+ 385.01773 160.8
[M]- 385.01883 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.