CID 135221349

3-chloro-2-fluoro-5-nitrobenzaldehyde

Structural Information

Molecular Formula

C₇H₃ClFNO₃

SMILES

C1=C(C=C(C(=C1C=O)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C7H3ClFNO3/c8-6-2-5(10(12)13)1-4(3-11)7(6)9/h1-3H

InChIKey

QUFXOMNCMUEPIZ-UHFFFAOYSA-N

Compound name

3-chloro-2-fluoro-5-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.97855 Da
Monoisotopic Mass: 1.9
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]+	203.98583	133.6
[M+Na]+	225.96777	144.2
[M-H]-	201.97127	136.7
[M+NH4]+	221.01237	153.2
[M+K]+	241.94171	136.9
[M+H-H2O]+	185.97581	133.3
[M+HCOO]-	247.97675	154.8
[M+CH3COO]-	261.99240	177.6
[M+Na-2H]-	223.95322	140.6
[M]+	202.97800	134.6
[M]-	202.97910	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe