CID 214938

Butan-2-yl 2,2-dichloroethenyl methyl phosphate

Structural Information

Molecular Formula
C7H13Cl2O4P
SMILES
CCC(C)OP(=O)(OC)OC=C(Cl)Cl
InChI
InChI=1S/C7H13Cl2O4P/c1-4-6(2)13-14(10,11-3)12-5-7(8)9/h5-6H,4H2,1-3H3
InChIKey
DWORZBHHACHFTC-UHFFFAOYSA-N
Compound name
butan-2-yl 2,2-dichloroethenyl methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

261.99286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00014 149.5
[M+Na]+ 284.98208 158.0
[M-H]- 260.98558 148.9
[M+NH4]+ 280.02668 168.6
[M+K]+ 300.95602 155.3
[M+H-H2O]+ 244.99012 145.1
[M+HCOO]- 306.99106 166.9
[M+CH3COO]- 321.00671 192.9
[M+Na-2H]- 282.96753 150.8
[M]+ 261.99231 158.4
[M]- 261.99341 158.4
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

patents stripe