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
2
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 162.7
[M+Na]+ 348.04052 171.5
[M-H]- 324.04402 155.4
[M+NH4]+ 343.08512 176.1
[M+K]+ 364.01446 167.1
[M+H-H2O]+ 308.04856 150.1
[M+HCOO]- 370.04950 171.3
[M+CH3COO]- 384.06515 210.4
[M+Na-2H]- 346.02597 167.0
[M]+ 325.05075 148.8
[M]- 325.05185 148.8
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.