CID 46311589

1214349-53-7

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=CC(=C(C=C1F)[N+](=O)[O-])OC(F)F
InChI
InChI=1S/C7H4F3NO3/c8-4-1-2-6(14-7(9)10)5(3-4)11(12)13/h1-3,7H
InChIKey
DTAHCVYYHHVFEU-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-4-fluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.01433 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 133.3
[M+Na]+ 230.00355 142.1
[M-H]- 206.00705 133.6
[M+NH4]+ 225.04815 151.5
[M+K]+ 245.97749 136.6
[M+H-H2O]+ 190.01159 129.7
[M+HCOO]- 252.01253 155.8
[M+CH3COO]- 266.02818 180.0
[M+Na-2H]- 227.98900 139.1
[M]+ 207.01378 129.5
[M]- 207.01488 129.5
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.