CID 21956478

2-chloro-4-fluoro-5-methoxyaniline

Structural Information

Molecular Formula
C7H7ClFNO
SMILES
COC1=C(C=C(C(=C1)N)Cl)F
InChI
InChI=1S/C7H7ClFNO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
InChIKey
MCNJLYHDKCTFSO-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

175.02002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02730 129.2
[M+Na]+ 198.00924 142.4
[M+NH4]+ 193.05384 137.9
[M+K]+ 213.98318 135.9
[M-H]- 174.01274 130.8
[M+Na-2H]- 195.99469 136.0
[M]+ 175.01947 131.7
[M]- 175.02057 131.7
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