CID 9556221

Nsc676749

Structural Information

Molecular Formula
C13H25F4N2O3P
SMILES
CC(C)C(N(C)/C(=N/C(F)(F)F)/F)P(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C13H25F4N2O3P/c1-8(2)11(19(7)12(14)18-13(15,16)17)23(20,21-9(3)4)22-10(5)6/h8-11H,1-7H3/b18-12+
InChIKey
JSCWFWFDRLWMFR-LDADJPATSA-N
Compound name
N-[1-di(propan-2-yloxy)phosphoryl-2-methylpropyl]-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1539 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16118 183.8
[M+Na]+ 387.14312 201.9
[M-H]- 363.14662 195.1
[M+NH4]+ 382.18772 202.0
[M+K]+ 403.11706 189.5
[M+H-H2O]+ 347.15116 172.5
[M+HCOO]- 409.15210 194.1
[M+CH3COO]- 423.16775 228.7
[M+Na-2H]- 385.12857 178.3
[M]+ 364.15335 183.9
[M]- 364.15445 183.9
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.