CID 21161563

2-chloro-6-fluoro-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H7ClFN
SMILES
CNC1=C(C=CC=C1Cl)F
InChI
InChI=1S/C7H7ClFN/c1-10-7-5(8)3-2-4-6(7)9/h2-4,10H,1H3
InChIKey
MCRLZMFURHIURO-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

159.0251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.032376 126.7
[M+Na]+ 182.014318 136.8
[M-H]- 158.017824 129.6
[M+NH4]+ 177.058923 148.7
[M+K]+ 197.988258 132.9
[M+H-H2O]+ 142.022360 121.5
[M+HCOO]- 204.023301 147.3
[M+CH3COO]- 218.038951 178.9
[M+Na-2H]- 179.999766 133.9
[M]+ 159.02455142 126.7
[M]- 159.02564858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe