CID 12795486

2,6-difluoro-3-nitrotoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
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 127.2
[M+Na]+ 196.01806 137.3
[M-H]- 172.02156 129.3
[M+NH4]+ 191.06266 147.4
[M+K]+ 211.99200 131.4
[M+H-H2O]+ 156.02610 125.1
[M+HCOO]- 218.02704 151.6
[M+CH3COO]- 232.04269 175.5
[M+Na-2H]- 194.00351 134.1
[M]+ 173.02829 124.3
[M]- 173.02939 124.3
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