CID 19374475

Dtxsid601202180

Structural Information

Molecular Formula
C11H11ClFNO5
SMILES
CC(C)COC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl
InChI
InChI=1S/C11H11ClFNO5/c1-6(2)5-18-11(15)19-10-4-9(14(16)17)8(13)3-7(10)12/h3-4,6H,5H2,1-2H3
InChIKey
WUQPBXNPRRZWOD-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluoro-5-nitrophenyl) 2-methylpropyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

291.03098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03826 154.7
[M+Na]+ 314.02020 166.6
[M+NH4]+ 309.06480 160.6
[M+K]+ 329.99414 164.7
[M-H]- 290.02370 154.8
[M+Na-2H]- 312.00565 158.5
[M]+ 291.03043 156.4
[M]- 291.03153 156.4
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