CID 12267

2,2,2-trifluoro-n-nitroso-n-(2,2,2-trifluoroethyl)ethanamine

Structural Information

Molecular Formula
C4H4F6N2O
SMILES
C(C(F)(F)F)N(CC(F)(F)F)N=O
InChI
InChI=1S/C4H4F6N2O/c5-3(6,7)1-12(11-13)2-4(8,9)10/h1-2H2
InChIKey
YUEXLPFBTMPXCY-UHFFFAOYSA-N
Compound name
N,N-bis(2,2,2-trifluoroethyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

210.02278 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03006 133.4
[M+Na]+ 233.01200 141.8
[M-H]- 209.01550 129.2
[M+NH4]+ 228.05660 152.7
[M+K]+ 248.98594 142.4
[M+H-H2O]+ 193.02004 123.4
[M+HCOO]- 255.02098 152.7
[M+CH3COO]- 269.03663 194.5
[M+Na-2H]- 230.99745 139.6
[M]+ 210.02223 127.2
[M]- 210.02333 127.2
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