CID 53407588

865886-83-5

Structural Information

Molecular Formula
C7H4BrF2NO3
SMILES
C1=CC(=C(C=C1OC(F)F)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H4BrF2NO3/c8-5-3-4(14-7(9)10)1-2-6(5)11(12)13/h1-3,7H
InChIKey
YCHHHSKECOAFTB-UHFFFAOYSA-N
Compound name
2-bromo-4-(difluoromethoxy)-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.93427 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.94155 146.2
[M+Na]+ 289.92349 157.7
[M-H]- 265.92699 150.4
[M+NH4]+ 284.96809 165.6
[M+K]+ 305.89743 143.6
[M+H-H2O]+ 249.93153 148.5
[M+HCOO]- 311.93247 167.1
[M+CH3COO]- 325.94812 187.4
[M+Na-2H]- 287.90894 153.0
[M]+ 266.93372 162.7
[M]- 266.93482 162.7
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.