CID 67103000

1001390-64-2

Structural Information

Molecular Formula

C₇H₆ClF₂N

SMILES

C1=CC(=C(C(=C1CN)Cl)F)F

InChI

InChI=1S/C7H6ClF2N/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2H,3,11H2

InChIKey

ULORPEWFMWWDMH-UHFFFAOYSA-N

Compound name

(2-chloro-3,4-difluorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 177.01569 Da
Monoisotopic Mass: 1.6
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]+	178.022966	129.2
[M+Na]+	200.004908	140.3
[M-H]-	176.008414	130.5
[M+NH4]+	195.049513	150.5
[M+K]+	215.978848	135.6
[M+H-H2O]+	160.012950	123.4
[M+HCOO]-	222.013891	148.2
[M+CH3COO]-	236.029541	182.1
[M+Na-2H]-	197.990356	134.0
[M]+	177.01514142	127.5
[M]-	177.01623858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe