CID 2752545

N,n-dimethyl-4-(tridecafluorohexyl)aniline

Structural Information

Molecular Formula
C14H10F13N
SMILES
CN(C)C1=CC=C(C=C1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H10F13N/c1-28(2)8-5-3-7(4-6-8)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3-6H,1-2H3
InChIKey
NFDMREXGTSXTER-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

439.06058 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.06786 187.7
[M+Na]+ 462.04980 196.4
[M-H]- 438.05330 177.8
[M+NH4]+ 457.09440 196.8
[M+K]+ 478.02374 192.4
[M+H-H2O]+ 422.05784 172.2
[M+HCOO]- 484.05878 188.7
[M+CH3COO]- 498.07443 234.3
[M+Na-2H]- 460.03525 189.7
[M]+ 439.06003 168.9
[M]- 439.06113 168.9
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