CID 165948327

2,4-dichloro-5-fluoro-n-methylaniline

Structural Information

Molecular Formula
C7H6Cl2FN
SMILES
CNC1=CC(=C(C=C1Cl)Cl)F
InChI
InChI=1S/C7H6Cl2FN/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3,11H,1H3
InChIKey
YYYKZHUUHFSPDB-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.98613 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.99341 132.7
[M+Na]+ 215.97535 144.0
[M-H]- 191.97885 135.1
[M+NH4]+ 211.01995 153.9
[M+K]+ 231.94929 138.6
[M+H-H2O]+ 175.98339 128.5
[M+HCOO]- 237.98433 148.1
[M+CH3COO]- 251.99998 184.8
[M+Na-2H]- 213.96080 138.3
[M]+ 192.98558 134.1
[M]- 192.98668 134.1
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

No patent data available for this compound.