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

650
Patents

145.00946 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.016736 122.5
[M+Na]+ 167.998678 133.1
[M-H]- 144.002184 125.1
[M+NH4]+ 163.043283 144.8
[M+K]+ 183.972618 129.1
[M+H-H2O]+ 128.006720 117.7
[M+HCOO]- 190.007661 142.9
[M+CH3COO]- 204.023311 175.2
[M+Na-2H]- 165.984126 129.2
[M]+ 145.00891142 121.2
[M]- 145.01000858 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