CID 2774000

3,5-dichloro-2,4-difluoroaniline

Structural Information

Molecular Formula
C6H3Cl2F2N
SMILES
C1=C(C(=C(C(=C1Cl)F)Cl)F)N
InChI
InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2
InChIKey
KLECNQGLBJHVSH-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,4-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

96
Patents

196.96106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.968336 130.0
[M+Na]+ 219.950278 142.7
[M-H]- 195.953784 131.0
[M+NH4]+ 214.994883 151.0
[M+K]+ 235.924218 136.8
[M+H-H2O]+ 179.958320 125.4
[M+HCOO]- 241.959261 144.2
[M+CH3COO]- 255.974911 185.1
[M+Na-2H]- 217.935726 133.9
[M]+ 196.96051142 129.4
[M]- 196.96160858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe