CID 71605503

N-methyl-4-(nonafluorobutyl)aniline

Structural Information

Molecular Formula
C11H8F9N
SMILES
CNC1=CC=C(C=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F9N/c1-21-7-4-2-6(3-5-7)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-5,21H,1H3
InChIKey
JGMPOFDQXGRBLP-UHFFFAOYSA-N
Compound name
N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0513 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05858 183.6
[M+Na]+ 348.04052 185.1
[M+NH4]+ 343.08512 183.4
[M+K]+ 364.01446 182.1
[M-H]- 324.04402 176.7
[M+Na-2H]- 346.02597 182.1
[M]+ 325.05075 181.5
[M]- 325.05185 181.5
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.