CID 20543813

4-chloro-2-fluoro-6-methylaniline

Structural Information

Molecular Formula
C7H7ClFN
SMILES
CC1=CC(=CC(=C1N)F)Cl
InChI
InChI=1S/C7H7ClFN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKey
JOVNAPZGYWRKSE-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

159.0251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03238 127.0
[M+Na]+ 182.01432 138.1
[M-H]- 158.01782 129.7
[M+NH4]+ 177.05892 149.0
[M+K]+ 197.98826 133.8
[M+H-H2O]+ 142.02236 122.2
[M+HCOO]- 204.02330 147.0
[M+CH3COO]- 218.03895 179.4
[M+Na-2H]- 179.99977 132.4
[M]+ 159.02455 126.4
[M]- 159.02565 126.4
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