CID 45108193

1,2-difluoro-4-methoxy-5-nitrobenzene

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
COC1=CC(=C(C=C1[N+](=O)[O-])F)F
InChI
InChI=1S/C7H5F2NO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
InChIKey
JQFISHUXFQMRFG-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-methoxy-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

189.02374 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.031016 130.5
[M+Na]+ 212.012958 140.5
[M-H]- 188.016464 132.7
[M+NH4]+ 207.057563 150.0
[M+K]+ 227.986898 135.0
[M+H-H2O]+ 172.021000 128.2
[M+HCOO]- 234.021941 155.1
[M+CH3COO]- 248.037591 177.5
[M+Na-2H]- 209.998406 137.5
[M]+ 189.02319142 129.0
[M]- 189.02428858 129.0
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