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: 1718
References: 6643
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]+	183.094466	142.3
[M+Na]+	205.076408	149.9
[M-H]-	181.079914	140.6
[M+NH4]+	200.121013	163.4
[M+K]+	221.050348	150.3
[M+H-H2O]+	165.084450	135.7
[M+HCOO]-	227.085391	166.5
[M+CH3COO]-	241.101041	183.9
[M+Na-2H]-	203.061856	145.2
[M]+	182.08664142	145.1
[M]-	182.08773858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe