CID 71331524

4-[(heptadecafluorooctyl)oxy]benzene-1,3-diamine

Structural Information

Molecular Formula
C14H7F17N2O
SMILES
C1=CC(=C(C=C1N)N)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H7F17N2O/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)34-6-2-1-4(32)3-5(6)33/h1-3H,32-33H2
InChIKey
MNBWQFQWDVQHGA-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

542.0287 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.03598 208.9
[M+Na]+ 565.01792 217.8
[M-H]- 541.02142 194.3
[M+NH4]+ 560.06252 166.9
[M+K]+ 580.99186 213.0
[M+H-H2O]+ 525.02596 191.8
[M+HCOO]- 587.02690 181.4
[M+CH3COO]- 601.04255 248.3
[M+Na-2H]- 563.00337 210.1
[M]+ 542.02815 181.2
[M]- 542.02925 181.2
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