CID 67800705

2-chloro-4,5-difluoro-n-methylaniline hydrochloride

Structural Information

Molecular Formula

C₇H₆ClF₂N

SMILES

CNC1=CC(=C(C=C1Cl)F)F

InChI

InChI=1S/C7H6ClF2N/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3,11H,1H3

InChIKey

XPOOKQWADHVCLW-UHFFFAOYSA-N

Compound name

2-chloro-4,5-difluoro-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.01569 Da
Monoisotopic Mass: 2.7
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]+	178.02297	129.7
[M+Na]+	200.00491	142.3
[M+NH4]+	195.04951	138.0
[M+K]+	215.97885	135.3
[M-H]-	176.00841	130.3
[M+Na-2H]-	197.99036	136.5
[M]+	177.01514	131.8
[M]-	177.01624	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe