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 157.5
[M+Na]+ 314.02020 165.7
[M-H]- 290.02370 160.2
[M+NH4]+ 309.06480 173.4
[M+K]+ 329.99414 159.5
[M+H-H2O]+ 274.02824 156.3
[M+HCOO]- 336.02918 175.9
[M+CH3COO]- 350.04483 193.9
[M+Na-2H]- 312.00565 160.4
[M]+ 291.03043 161.3
[M]- 291.03153 161.3
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