CID 14150257

7la77e3hdr

Structural Information

Molecular Formula

C₉H₁₈Br₂ClO₄P

SMILES

CC(C)(COP(=O)(OCCCl)OCCBr)CBr

InChI

InChI=1S/C9H18Br2ClO4P/c1-9(2,7-11)8-16-17(13,14-5-3-10)15-6-4-12/h3-8H2,1-2H3

InChIKey

GZSKSYDWLZIPOX-UHFFFAOYSA-N

Compound name

(3-bromo-2,2-dimethylpropyl) 2-bromoethyl 2-chloroethyl phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9
Patents: 413.8998 Da
Monoisotopic Mass: 2.8
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]+	414.90708	184.5
[M+Na]+	436.88902	195.2
[M-H]-	412.89252	187.5
[M+NH4]+	431.93362	201.2
[M+K]+	452.86296	177.8
[M+H-H2O]+	396.89706	190.5
[M+HCOO]-	458.89800	197.7
[M+CH3COO]-	472.91365	217.5
[M+Na-2H]-	434.87447	187.7
[M]+	413.89925	224.8
[M]-	413.90035	224.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe