CID 9556168

Nsc670089

Structural Information

Molecular Formula
C10H19F4N2O3P
SMILES
CCOP(=O)(C(C)(C)N(C)/C(=N/C(F)(F)F)/F)OCC
InChI
InChI=1S/C10H19F4N2O3P/c1-6-18-20(17,19-7-2)9(3,4)16(5)8(11)15-10(12,13)14/h6-7H2,1-5H3/b15-8+
InChIKey
BLNPJABOSUBJNU-OVCLIPMQSA-N
Compound name
N-(2-diethoxyphosphorylpropan-2-yl)-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.10693 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11421 171.3
[M+Na]+ 345.09615 177.2
[M-H]- 321.09965 168.0
[M+NH4]+ 340.14075 184.5
[M+K]+ 361.07009 178.4
[M+H-H2O]+ 305.10419 160.4
[M+HCOO]- 367.10513 192.6
[M+CH3COO]- 381.12078 217.1
[M+Na-2H]- 343.08160 173.0
[M]+ 322.10638 172.5
[M]- 322.10748 172.5
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

No patent data available for this compound.