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]+ 197.96834 130.0
[M+Na]+ 219.95028 142.7
[M-H]- 195.95378 131.0
[M+NH4]+ 214.99488 151.0
[M+K]+ 235.92422 136.8
[M+H-H2O]+ 179.95832 125.4
[M+HCOO]- 241.95926 144.2
[M+CH3COO]- 255.97491 185.1
[M+Na-2H]- 217.93573 133.9
[M]+ 196.96051 129.4
[M]- 196.96161 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.