CID 56924441

1,3-difluoro-5-methyl-2-nitrobenzene

Structural Information

Molecular Formula

C₇H₅F₂NO₂

SMILES

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

InChI

InChI=1S/C7H5F2NO2/c1-4-2-5(8)7(10(11)12)6(9)3-4/h2-3H,1H3

InChIKey

RCDKCOBKMXBXAU-UHFFFAOYSA-N

Compound name

1,3-difluoro-5-methyl-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 173.02884 Da
Monoisotopic Mass: 2.3
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe