CID 230658

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

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
CC1=CC(=C(C=C1F)[N+](=O)[O-])F
InChI
InChI=1S/C7H5F2NO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3
InChIKey
ABWWQMGGJXKGBL-UHFFFAOYSA-N
Compound name
1,4-difluoro-2-methyl-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

173.02884 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 128.1
[M+Na]+ 196.01806 140.9
[M+NH4]+ 191.06266 135.6
[M+K]+ 211.99200 137.7
[M-H]- 172.02156 129.0
[M+Na-2H]- 194.00351 134.0
[M]+ 173.02829 130.0
[M]- 173.02939 130.0
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