CID 11066887

2-(nonafluorobutyl)aniline

Structural Information

Molecular Formula
C10H6F9N
SMILES
C1=CC=C(C(=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C10H6F9N/c11-7(12,5-3-1-2-4-6(5)20)8(13,14)9(15,16)10(17,18)19/h1-4H,20H2
InChIKey
WYDOVJUQQMYICO-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

311.03564 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04292 158.3
[M+Na]+ 334.02486 167.6
[M-H]- 310.02836 150.7
[M+NH4]+ 329.06946 172.0
[M+K]+ 349.99880 163.1
[M+H-H2O]+ 294.03290 146.0
[M+HCOO]- 356.03384 166.7
[M+CH3COO]- 370.04949 206.8
[M+Na-2H]- 332.01031 162.1
[M]+ 311.03509 143.1
[M]- 311.03619 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe