CID 4249361

N-(3-chloro-4-methylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C11H7ClF7NO
SMILES
CC1=C(C=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C11H7ClF7NO/c1-5-2-3-6(4-7(5)12)20-8(21)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3,(H,20,21)
InChIKey
RRKXDRWEKLMWMD-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.01044 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01772 161.8
[M+Na]+ 359.99966 171.9
[M-H]- 336.00316 157.1
[M+NH4]+ 355.04426 176.1
[M+K]+ 375.97360 166.2
[M+H-H2O]+ 320.00770 151.6
[M+HCOO]- 382.00864 169.5
[M+CH3COO]- 396.02429 209.8
[M+Na-2H]- 357.98511 164.6
[M]+ 337.00989 154.1
[M]- 337.01099 154.1
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.