CID 105560540

4-chloro-5-fluoro-2-methoxyaniline

Structural Information

Molecular Formula
C7H7ClFNO
SMILES
COC1=CC(=C(C=C1N)F)Cl
InChI
InChI=1S/C7H7ClFNO/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3
InChIKey
QULHJMQJXYTTTA-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 130.0
[M+Na]+ 198.00924 141.0
[M-H]- 174.01274 132.8
[M+NH4]+ 193.05384 151.4
[M+K]+ 213.98318 137.3
[M+H-H2O]+ 158.01728 125.0
[M+HCOO]- 220.01822 150.3
[M+CH3COO]- 234.03387 181.4
[M+Na-2H]- 195.99469 135.4
[M]+ 175.01947 130.9
[M]- 175.02057 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