CID 79018270

2-chloro-4-(difluoromethoxy)-1-nitrobenzene

Structural Information

Molecular Formula
C7H4ClF2NO3
SMILES
C1=CC(=C(C=C1OC(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClF2NO3/c8-5-3-4(14-7(9)10)1-2-6(5)11(12)13/h1-3,7H
InChIKey
GECPKSHDLNSXPJ-UHFFFAOYSA-N
Compound name
2-chloro-4-(difluoromethoxy)-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.98477 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.992046 136.7
[M+Na]+ 245.973988 145.8
[M-H]- 221.977494 138.0
[M+NH4]+ 241.018593 155.1
[M+K]+ 261.947928 139.1
[M+H-H2O]+ 205.982030 135.1
[M+HCOO]- 267.982971 155.7
[M+CH3COO]- 281.998621 181.0
[M+Na-2H]- 243.959436 142.5
[M]+ 222.98422142 136.2
[M]- 222.98531858 136.2
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.