CID 68157770

1,3-difluoro-2-methoxy-4-nitrobenzene

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
COC1=C(C=CC(=C1F)[N+](=O)[O-])F
InChI
InChI=1S/C7H5F2NO3/c1-13-7-4(8)2-3-5(6(7)9)10(11)12/h2-3H,1H3
InChIKey
CWPLDAOSFHZEKL-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-methoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

189.02374 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03102 130.5
[M+Na]+ 212.01296 140.5
[M-H]- 188.01646 132.7
[M+NH4]+ 207.05756 150.0
[M+K]+ 227.98690 135.0
[M+H-H2O]+ 172.02100 128.2
[M+HCOO]- 234.02194 155.1
[M+CH3COO]- 248.03759 177.5
[M+Na-2H]- 209.99841 137.5
[M]+ 189.02319 129.0
[M]- 189.02429 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