CID 125477219

[n(e),s(s)]-n-(4-methylphenyl)methyleneperfluorobutanesulfinamide

Structural Information

Molecular Formula
C12H8F9NOS
SMILES
CC1=CC=C(C=C1)C=N[S@@](=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F9NOS/c1-7-2-4-8(5-3-7)6-22-24(23)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-6H,1H3/t24-/m0/s1
InChIKey
BJMMKNXYPAYRHL-DEOSSOPVSA-N
Compound name
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(4-methylphenyl)methylidene]butane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.01828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.02556 172.7
[M+Na]+ 408.00750 181.2
[M-H]- 384.01100 166.3
[M+NH4]+ 403.05210 184.6
[M+K]+ 423.98144 176.4
[M+H-H2O]+ 368.01554 159.1
[M+HCOO]- 430.01648 177.2
[M+CH3COO]- 444.03213 219.4
[M+Na-2H]- 405.99295 173.8
[M]+ 385.01773 162.7
[M]- 385.01883 162.7
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

No patent data available for this compound.