CID 559263

1-(chlorodifluoromethoxy)-4-nitrobenzene

Structural Information

Molecular Formula
C7H4ClF2NO3
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(F)(F)Cl
InChI
InChI=1S/C7H4ClF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
InChIKey
WPALJCCMLCPKMZ-UHFFFAOYSA-N
Compound name
1-[chloro(difluoro)methoxy]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.98477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99205 137.3
[M+Na]+ 245.97399 146.3
[M-H]- 221.97749 138.6
[M+NH4]+ 241.01859 155.6
[M+K]+ 261.94793 139.4
[M+H-H2O]+ 205.98203 136.0
[M+HCOO]- 267.98297 155.8
[M+CH3COO]- 281.99862 179.4
[M+Na-2H]- 243.95944 146.1
[M]+ 222.98422 136.5
[M]- 222.98532 136.5
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