CID 11447905

179691-31-7

Structural Information

Molecular Formula
C10H10ClNO4
SMILES
CC(COC(=O)Cl)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H10ClNO4/c1-7(6-16-10(11)13)8-4-2-3-5-9(8)12(14)15/h2-5,7H,6H2,1H3
InChIKey
LRWLGGPRIFYAPO-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)propyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

100
Patents

243.02983 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03711 149.6
[M+Na]+ 266.01905 156.5
[M-H]- 242.02255 153.1
[M+NH4]+ 261.06365 166.9
[M+K]+ 281.99299 150.2
[M+H-H2O]+ 226.02709 149.2
[M+HCOO]- 288.02803 169.1
[M+CH3COO]- 302.04368 184.5
[M+Na-2H]- 264.00450 154.4
[M]+ 243.02928 152.0
[M]- 243.03038 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe