CID 134207

Ndba-f14

Structural Information

Molecular Formula
C8H4F14N2O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)N(CC(C(C(F)(F)F)(F)F)(F)F)N=O
InChI
InChI=1S/C8H4F14N2O/c9-3(10,5(13,14)7(17,18)19)1-24(23-25)2-4(11,12)6(15,16)8(20,21)22/h1-2H2
InChIKey
ACTHRCNAGIBPKA-UHFFFAOYSA-N
Compound name
N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

410.01 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.01728 175.5
[M+Na]+ 432.99922 184.2
[M-H]- 409.00272 168.8
[M+NH4]+ 428.04382 170.4
[M+K]+ 448.97316 182.7
[M+H-H2O]+ 393.00726 160.4
[M+HCOO]- 455.00820 179.7
[M+CH3COO]- 469.02385 230.9
[M+Na-2H]- 430.98467 179.0
[M]+ 410.00945 156.1
[M]- 410.01055 156.1
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