CID 1934260

2,2,3,3,4,4,4-heptafluoro-n-(2-iodophenyl)butanamide

Structural Information

Molecular Formula
C10H5F7INO
SMILES
C1=CC=C(C(=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C10H5F7INO/c11-8(12,9(13,14)10(15,16)17)7(20)19-6-4-2-1-3-5(6)18/h1-4H,(H,19,20)
InChIKey
CTYGKSNFBUDKEV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2-iodophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.93042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.93770 166.9
[M+Na]+ 437.91964 168.5
[M-H]- 413.92314 155.5
[M+NH4]+ 432.96424 176.5
[M+K]+ 453.89358 170.5
[M+H-H2O]+ 397.92768 152.5
[M+HCOO]- 459.92862 174.5
[M+CH3COO]- 473.94427 211.9
[M+Na-2H]- 435.90509 158.9
[M]+ 414.92987 154.3
[M]- 414.93097 154.3
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.