CID 28877918

3-chloro-2-fluoro-n-methylaniline

Structural Information

Molecular Formula
C7H7ClFN
SMILES
CNC1=C(C(=CC=C1)Cl)F
InChI
InChI=1S/C7H7ClFN/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,1H3
InChIKey
CJGFTBAVKRBMRE-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

159.0251 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03238 126.7
[M+Na]+ 182.01432 136.8
[M-H]- 158.01782 129.6
[M+NH4]+ 177.05892 148.7
[M+K]+ 197.98826 132.9
[M+H-H2O]+ 142.02236 121.5
[M+HCOO]- 204.02330 147.3
[M+CH3COO]- 218.03895 178.9
[M+Na-2H]- 179.99977 133.9
[M]+ 159.02455 126.7
[M]- 159.02565 126.7
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