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

1
Patents

207.01433 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.021606 133.3
[M+Na]+ 230.003548 142.1
[M-H]- 206.007054 133.6
[M+NH4]+ 225.048153 151.5
[M+K]+ 245.977488 136.6
[M+H-H2O]+ 190.011590 129.7
[M+HCOO]- 252.012531 155.8
[M+CH3COO]- 266.028181 180.0
[M+Na-2H]- 227.988996 139.1
[M]+ 207.01378142 129.5
[M]- 207.01487858 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

patents stripe