CID 88884

2-chloro-3-fluoroaniline

Structural Information

Molecular Formula
C6H5ClFN
SMILES
C1=CC(=C(C(=C1)F)Cl)N
InChI
InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey
FJKIADFDXOCBRV-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

474
Patents

145.00946 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01674 121.5
[M+Na]+ 167.99868 135.1
[M+NH4]+ 163.04328 131.0
[M+K]+ 183.97262 128.1
[M-H]- 144.00218 123.7
[M+Na-2H]- 165.98413 129.4
[M]+ 145.00891 124.3
[M]- 145.01001 124.3
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