CID 2734205

2-chloro-6-fluoroaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

988
Patents

145.00946 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe