CID 57579236

Mxo6exq1t8

Structural Information

Molecular Formula
C14H14F5NO
SMILES
CC1CCCCC1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C14H14F5NO/c1-6-4-2-3-5-7(6)20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,2-5H2,1H3,(H,20,21)
InChIKey
FJHJJVNLPPPLHC-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluoro-N-(2-methylcyclohexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

72
Patents

307.09955 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10683 165.5
[M+Na]+ 330.08877 174.2
[M-H]- 306.09227 166.0
[M+NH4]+ 325.13337 180.6
[M+K]+ 346.06271 169.1
[M+H-H2O]+ 290.09681 154.3
[M+HCOO]- 352.09775 180.4
[M+CH3COO]- 366.11340 210.3
[M+Na-2H]- 328.07422 162.2
[M]+ 307.09900 156.1
[M]- 307.10010 156.1
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

patents stripe