CID 520705

2,4-dinitro-5-fluorotoluene

Structural Information

Molecular Formula

C₇H₅FN₂O₄

SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C7H5FN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3

InChIKey

CMIMRMOSIVTUAA-UHFFFAOYSA-N

Compound name

1-fluoro-5-methyl-2,4-dinitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 297
Patents: 200.02333 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.03061	136.5
[M+Na]+	223.01255	149.9
[M+NH4]+	218.05715	143.7
[M+K]+	238.98649	149.7
[M-H]-	199.01605	139.4
[M+Na-2H]-	220.99800	141.7
[M]+	200.02278	138.9
[M]-	200.02388	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe