CID 21956478

98404-04-7

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

60
Patents

175.02002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.027296 130.0
[M+Na]+ 198.009238 141.0
[M-H]- 174.012744 132.8
[M+NH4]+ 193.053843 151.4
[M+K]+ 213.983178 137.3
[M+H-H2O]+ 158.017280 125.0
[M+HCOO]- 220.018221 150.3
[M+CH3COO]- 234.033871 181.4
[M+Na-2H]- 195.994686 135.4
[M]+ 175.01947142 130.9
[M]- 175.02056858 130.9
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