CID 7305

Soman

Structural Information

Molecular Formula

C₇H₁₆FO₂P

SMILES

CC(C(C)(C)C)OP(=O)(C)F

InChI

InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3

InChIKey

GRXKLBBBQUKJJZ-UHFFFAOYSA-N

Compound name

3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1715
References: 6460
Patents: 182.08719 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.09447	142.3
[M+Na]+	205.07641	149.9
[M-H]-	181.07991	140.6
[M+NH4]+	200.12101	163.4
[M+K]+	221.05035	150.3
[M+H-H2O]+	165.08445	135.7
[M+HCOO]-	227.08539	166.5
[M+CH3COO]-	241.10104	183.9
[M+Na-2H]-	203.06186	145.2
[M]+	182.08664	145.1
[M]-	182.08774	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe