CID 12328718

4-(nonafluorobutoxy)aniline

Structural Information

Molecular Formula
C10H6F9NO
SMILES
C1=CC(=CC=C1N)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F9NO/c11-7(12,9(15,16)17)8(13,14)10(18,19)21-6-3-1-5(20)2-4-6/h1-4H,20H2
InChIKey
HZTSIVKWPJZMNG-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.03058 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.03786 161.6
[M+Na]+ 350.01980 170.8
[M-H]- 326.02330 153.9
[M+NH4]+ 345.06440 174.6
[M+K]+ 365.99374 166.8
[M+H-H2O]+ 310.02784 149.1
[M+HCOO]- 372.02878 170.2
[M+CH3COO]- 386.04443 208.8
[M+Na-2H]- 348.00525 165.6
[M]+ 327.03003 147.8
[M]- 327.03113 147.8
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

patents stripe