CID 2734838

3-chloro-5-fluoroaniline

Structural Information

Molecular Formula
C6H5ClFN
SMILES
C1=C(C=C(C=C1F)Cl)N
InChI
InChI=1S/C6H5ClFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
LPIFAHAICWJMRR-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

662
Patents

145.00946 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01674 122.5
[M+Na]+ 167.99868 133.1
[M-H]- 144.00218 125.1
[M+NH4]+ 163.04328 144.8
[M+K]+ 183.97262 129.1
[M+H-H2O]+ 128.00672 117.7
[M+HCOO]- 190.00766 142.9
[M+CH3COO]- 204.02331 175.2
[M+Na-2H]- 165.98413 129.2
[M]+ 145.00891 121.2
[M]- 145.01001 121.2
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