CID 74239

2-propanimine, 1,1,1,3,3,3-hexafluoro-

Structural Information

Molecular Formula
C3HF6N
SMILES
C(=N)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C3HF6N/c4-2(5,6)1(10)3(7,8)9/h10H
InChIKey
VVRCKMPEMSAMST-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

165.00131 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.00859 122.3
[M+Na]+ 187.99053 131.2
[M-H]- 163.99403 115.6
[M+NH4]+ 183.03513 142.3
[M+K]+ 203.96447 129.8
[M+H-H2O]+ 147.99857 113.7
[M+HCOO]- 209.99951 137.7
[M+CH3COO]- 224.01516 179.4
[M+Na-2H]- 185.97598 127.7
[M]+ 165.00076 111.2
[M]- 165.00186 111.2
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