CID 4626064

882749-22-6

Structural Information

Molecular Formula
C19H11F5OS
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCSC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C19H11F5OS/c20-14-15(21)17(23)19(18(24)16(14)22)26-8-7-13(25)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKey
YDIGXWBVEGBFNT-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-(2,3,4,5,6-pentafluorophenyl)sulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.04507 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05235 180.4
[M+Na]+ 405.03429 191.8
[M-H]- 381.03779 182.0
[M+NH4]+ 400.07889 194.1
[M+K]+ 421.00823 183.5
[M+H-H2O]+ 365.04233 168.1
[M+HCOO]- 427.04327 191.5
[M+CH3COO]- 441.05892 220.7
[M+Na-2H]- 403.01974 177.9
[M]+ 382.04452 179.3
[M]- 382.04562 179.3
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.