CID 2734083

2-chloro-4,6-difluoroaniline

Structural Information

Molecular Formula
C6H4ClF2N
SMILES
C1=C(C=C(C(=C1F)N)Cl)F
InChI
InChI=1S/C6H4ClF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChIKey
DUPRZIYJXCCXQZ-UHFFFAOYSA-N
Compound name
2-chloro-4,6-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

143
Patents

163.00003 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.007306 124.5
[M+Na]+ 185.989248 136.0
[M-H]- 161.992754 126.0
[M+NH4]+ 181.033853 146.2
[M+K]+ 201.963188 131.6
[M+H-H2O]+ 145.997290 118.8
[M+HCOO]- 207.998231 143.7
[M+CH3COO]- 222.013881 179.1
[M+Na-2H]- 183.974696 129.8
[M]+ 162.99948142 122.4
[M]- 163.00057858 122.4
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