CID 4329388

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-n'-[(4-methylphenyl)methylidene]heptanehydrazide

Structural Information

Molecular Formula
C15H9F13N2O
SMILES
CC1=CC=C(C=C1)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H9F13N2O/c1-7-2-4-8(5-3-7)6-29-30-9(31)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h2-6H,1H3,(H,30,31)
InChIKey
UHBSTFSCOKJDGJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-methylphenyl)methylideneamino]heptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.05072 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.05800 196.0
[M+Na]+ 503.03994 204.0
[M-H]- 479.04344 185.8
[M+NH4]+ 498.08454 203.1
[M+K]+ 519.01388 199.4
[M+H-H2O]+ 463.04798 180.1
[M+HCOO]- 525.04892 198.2
[M+CH3COO]- 539.06457 240.1
[M+Na-2H]- 501.02539 198.4
[M]+ 480.05017 176.7
[M]- 480.05127 176.7
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.