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]+ 223.99205 136.7
[M+Na]+ 245.97399 145.8
[M-H]- 221.97749 138.0
[M+NH4]+ 241.01859 155.1
[M+K]+ 261.94793 139.1
[M+H-H2O]+ 205.98203 135.1
[M+HCOO]- 267.98297 155.7
[M+CH3COO]- 281.99862 181.0
[M+Na-2H]- 243.95944 142.5
[M]+ 222.98422 136.2
[M]- 222.98532 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.