CID 17750754

2-chloro-6-fluoro-3-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H7ClFN
SMILES
CC1=C(C(=C(C=C1)F)N)Cl
InChI
InChI=1S/C7H7ClFN/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,10H2,1H3
InChIKey
ZEDOBEHSBNTVKR-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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 126.2
[M+Na]+ 182.01432 139.9
[M+NH4]+ 177.05892 135.5
[M+K]+ 197.98826 132.8
[M-H]- 158.01782 128.3
[M+Na-2H]- 179.99977 133.5
[M]+ 159.02455 129.0
[M]- 159.02565 129.0
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