CID 4208790

328016-16-6

Structural Information

Molecular Formula
C16H12F13N3O
SMILES
CN(C)C1=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/C16H12F13N3O/c1-32(2)9-5-3-8(4-6-9)7-30-31-10(33)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-7H,1-2H3,(H,31,33)
InChIKey
SRUIZVSPDIHICU-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.07727 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.08455 179.9
[M+Na]+ 532.06649 179.7
[M+NH4]+ 527.11109 178.9
[M+K]+ 548.04043 178.7
[M-H]- 508.06999 175.9
[M+Na-2H]- 530.05194 178.6
[M]+ 509.07672 178.6
[M]- 509.07782 178.6
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.