CID 4198996

N-(3,5-dichlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C10H4Cl2F7NO
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4Cl2F7NO/c11-4-1-5(12)3-6(2-4)20-7(21)8(13,14)9(15,16)10(17,18)19/h1-3H,(H,20,21)
InChIKey
WGNKYUWDFZMCGQ-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

356.9558 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.96308 160.7
[M+Na]+ 379.94502 171.6
[M-H]- 355.94852 155.8
[M+NH4]+ 374.98962 174.8
[M+K]+ 395.91896 164.7
[M+H-H2O]+ 339.95306 151.4
[M+HCOO]- 401.95400 164.1
[M+CH3COO]- 415.96965 211.0
[M+Na-2H]- 377.93047 163.6
[M]+ 356.95525 154.3
[M]- 356.95635 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

patents stripe