CID 17750754

2-chloro-6-fluoro-3-methylaniline

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

61
Patents

159.0251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.032376 127.0
[M+Na]+ 182.014318 138.1
[M-H]- 158.017824 129.7
[M+NH4]+ 177.058923 149.0
[M+K]+ 197.988258 133.8
[M+H-H2O]+ 142.022360 122.2
[M+HCOO]- 204.023301 147.0
[M+CH3COO]- 218.038951 179.4
[M+Na-2H]- 179.999766 132.4
[M]+ 159.02455142 126.4
[M]- 159.02564858 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