CID 532101

N-(3-chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C10H5ClF7NO
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5ClF7NO/c11-5-2-1-3-6(4-5)19-7(20)8(12,13)9(14,15)10(16,17)18/h1-4H,(H,19,20)
InChIKey
UJBGCMKVPMWSOM-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.99478 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00206 157.3
[M+Na]+ 345.98400 166.9
[M-H]- 321.98750 152.4
[M+NH4]+ 341.02860 171.9
[M+K]+ 361.95794 161.4
[M+H-H2O]+ 305.99204 147.0
[M+HCOO]- 367.99298 165.3
[M+CH3COO]- 382.00863 205.7
[M+Na-2H]- 343.96945 161.3
[M]+ 322.99423 148.9
[M]- 322.99533 148.9
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.