CID 3729764

2-chloro-4-fluoro-5-nitrophenyl ethyl carbonate

Structural Information

Molecular Formula
C9H7ClFNO5
SMILES
CCOC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl
InChI
InChI=1S/C9H7ClFNO5/c1-2-16-9(13)17-8-4-7(12(14)15)6(11)3-5(8)10/h3-4H,2H2,1H3
InChIKey
BGMMWAHLBZGOBB-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluoro-5-nitrophenyl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

262.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00694 148.6
[M+Na]+ 285.98888 157.9
[M-H]- 261.99238 151.5
[M+NH4]+ 281.03348 165.7
[M+K]+ 301.96282 151.6
[M+H-H2O]+ 245.99692 147.6
[M+HCOO]- 307.99786 168.6
[M+CH3COO]- 322.01351 187.1
[M+Na-2H]- 283.97433 153.7
[M]+ 262.99911 152.2
[M]- 263.00021 152.2
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