CID 40776

53460-81-4

Structural Information

Molecular Formula
C10H10ClNO4
SMILES
C1C(OC(O1)C2=CC=CC=C2[N+](=O)[O-])CCl
InChI
InChI=1S/C10H10ClNO4/c11-5-7-6-15-10(16-7)8-3-1-2-4-9(8)12(13)14/h1-4,7,10H,5-6H2
InChIKey
LQLVIUVTQZTSAJ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02983 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03711 153.0
[M+Na]+ 266.01905 159.8
[M-H]- 242.02255 160.6
[M+NH4]+ 261.06365 169.2
[M+K]+ 281.99299 154.8
[M+H-H2O]+ 226.02709 152.2
[M+HCOO]- 288.02803 171.3
[M+CH3COO]- 302.04368 182.6
[M+Na-2H]- 264.00450 159.4
[M]+ 243.02928 154.2
[M]- 243.03038 154.2
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

No patent data available for this compound.